SCHEMBL8628112

SCHEMBL8628112

[c]1nnc(C2CCCCC2)o1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
CYP2C19 P33261 2/20 0.36
ALOX15B O15296 1/20 0.35
RAB9A P51151 4/20 0.34
NPC1 O15118 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ADCY1 Q08828 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL9164086 1.00 ALDH1A1 (0.37) ALDH1A1LMNAPOLBCYP2C19ALOX15B
SCHEMBL20722085 0.93
SCHEMBL24623064 0.69 CYP2C19 (0.55) ALDH1A1LMNAPOLBCYP2C19ALOX15B
SCHEMBL20722062 0.68
SCHEMBL14305108 0.67 CYP2C19 (0.53) ALDH1A1LMNAPOLBCYP2C19ALOX15B
SCHEMBL6961524 0.65 ADRA2A (0.38) ALDH1A1L3MBTL1
SCHEMBL20721919 0.65 ATF4 (0.32)
SCHEMBL20554254 0.61 ALDH1A1 (0.37) ALDH1A1LMNAPOLBCYP2C19ALOX15B
SCHEMBL15599480 0.61 CYP2C19 (0.47) ALDH1A1LMNAPOLBCYP2C19ALOX15B
SCHEMBL8062544 0.61 NOTUM (0.51) ALDH1A1LMNAPOLBCYP2C19ALOX15B

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0939760-A2 1-THIOGALACTOSE DERIVATIVES SYNSORB Biotech Inc. (CA) 1999-09-08 EP claimed
WO-1998021221-A2 1-THIOGALACTOSE DERIVATIVES SYNSORB BIOTECH, INC. (CA) 1998-05-22 WO claimed
US-RE35754-E FOR TREATING BACTERIAL INFECTIONS HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-24 US disclosed
US-5710146-A ANTIBIOTICS FOR BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1998-01-20 US disclosed
US-5434164-A Carbostyril derivatives and salts thereof and pharmaceutical compositions for inhibiting adhesion of thrombocytes OTSUKA PHARMACEUTICAL CO. LTD. (JP) 1995-07-18 US disclosed
EP-0240015-B1 Carbostyril derivatives, process for preparing them, pharmaceutical composition, and use OTSUKA PHARMA CO LTD (JP) 1994-12-28 EP disclosed
US-5089490-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1992-02-18 US disclosed
US-5008274-A Carbostyril derivatives and salts thereof and pharmaceutical composition for inhibiting adhesion of thrombocytes OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-04-16 US disclosed
US-4758556-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1988-07-19 US disclosed
EP-0240015-A2 Carbostyril derivatives, process for preparing them, pharmaceutical composition, and use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-10-07 EP disclosed
US-4399131-A Cephem derivatives HOECHST AG (DE) 1983-08-16 US disclosed
US-4278793-A ANTIBIOTICS, BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1981-07-14 US disclosed