SCHEMBL4015131

SCHEMBL4015131

C(=NCCN1CCOCC1)=NC1CCCCC1.Cc1ccccc1S(=O)(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.61
CYP2C9 P11712 1/20 0.44
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
TSHR P16473 1/20 0.35
TP53 P04637 2/20 0.35
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
APOBEC3A P31941 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11217225 0.92 CYP1A2 (0.58) CYP1A2CYP2C9LMNATDP1TSHR
SCHEMBL5484470 0.89 CYP1A2 (0.63) CYP1A2CYP2C9TSHRTP53CNR1
SCHEMBL335422 0.89 CYP1A2 (0.59) CYP1A2CYP2C9LMNATSHRALDH1A1
SCHEMBL9436866 0.89 CYP1A2 (0.59) CYP1A2CYP2C9TDP1CNR1CNR2
SCHEMBL6277409 0.89 CYP1A2 (0.59) CYP1A2CYP2C9LMNATDP1PIK3CA
SCHEMBL31278334 0.89 CYP1A2 (0.59) CYP1A2CYP2C9LMNATSHRALDH1A1
SCHEMBL10752281 0.88 CYP1A2 (0.58) CYP1A2CYP2C9CNR1CNR2NPC1
SCHEMBL19433083 0.87 CYP1A2 (0.59) CYP1A2CYP2C9TSHRTP53MEN1
P-Xylene SCHEMBL3752326 0.86 CYP1A2 (0.70) CYP1A2CYP2C9TSHRTP53ALDH1A1
SCHEMBL9875276 0.86 CYP1A2 (0.55) CYP1A2CYP2C9LMNACNR1CNR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0990002-B1 DEXTRAN DERIVATIVES, PREPARATION METHOD AND APPLICATIONS AS MEDICINE WITH SPECIFIC BIOLOGICAL ACTION BIODEX (FR) 2005-10-05 EP claimed
US-6646120-B1 Polysaccharides with side chains of methylcarboxylate, carboxymethylbenzylamide, sulfate and sulfonate groups; use as anti-thrombotic, substitute for plasma and modulator of cell proliferation BIODEX (FR) 2003-11-11 US claimed
US-4275159-A IMMOBILIZATION PROJEKTIERUNG CHEMISCHE VERFAHRENSTECHNIK GMBH (DE) 1981-06-23 US claimed
US-4200692-A Process for the production of xylose by enzymatic hydrolysis of xylan PROJEKTIERUNG CHEMISCHE VERFAHRENSTECHNIK GMBH (DE) 1980-04-29 US claimed
US-7494589-B2 Industrial process for food liquids decontamination from chemical and/or biological contaminants DOX-AL ITALIA S.P.A. (IT) 2009-02-24 US disclosed
US-7101863-B2 Pharmaceutical compositions with wound healing or anti-complementary activity comprising a dextran derivative BIODEX (FR) 2006-09-05 US disclosed
US-20050220936-A1 Industrial process for food liquids decontamination from chemical and/or biological contaminants DOX-AL ITALIA S.P.A. (IT) 2005-10-06 US disclosed
EP-0990002-B1 DEXTRAN DERIVATIVES, PREPARATION METHOD AND APPLICATIONS AS MEDICINE WITH SPECIFIC BIOLOGICAL ACTION BIODEX (FR) 2005-10-05 EP disclosed
US-6946443-B2 Biomaterial based on an insolubilized dextran derivative and a growth factor BIODEX (FR) 2005-09-20 US disclosed
US-6646120-B1 Polysaccharides with side chains of methylcarboxylate, carboxymethylbenzylamide, sulfate and sulfonate groups; use as anti-thrombotic, substitute for plasma and modulator of cell proliferation BIODEX (FR) 2003-11-11 US disclosed
US-20020183282-A1 Pharmaceutical compositions with wound healing or anti-complementary activity comprising a dextran derivative BIODEX (FR) 2002-12-05 US disclosed
US-20020169120-A1 Biologically active material based on an insolubilised dextran derivative and a growth factor BIODEX (FR) 2002-11-14 US disclosed
EP-0990002-A1 DEXTRAN DERIVATIVES, PREPARATION METHOD AND APPLICATIONS AS MEDICINE WITH SPECIFIC BIOLOGICAL ACTION Solutions (FR) 2000-04-05 EP disclosed
WO-1999029734-A1 DEXTRAN DERIVATIVES, PREPARATION METHOD AND APPLICATIONS AS MEDICINE WITH SPECIFIC BIOLOGICAL ACTION SOLUTIONS (FR) 1999-06-17 WO disclosed
US-4621099-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS USV PHARMACEUTICAL CORPORATION (US) 1986-11-04 US disclosed
US-4275001-A Process for the manufacture of LH-RH and LH-RH analogs using Glu-His(DnP)-OH HOECHST AKTIENGESELLSCHAFT (DE) 1981-06-23 US disclosed
US-4200692-A Process for the production of xylose by enzymatic hydrolysis of xylan PROJEKTIERUNG CHEMISCHE VERFAHRENSTECHNIK GMBH (DE) 1980-04-29 US disclosed