SCHEMBL8886285

SCHEMBL8886285

O=[C]OC(C(=O)Oc1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.50
ATM Q13315 2/20 0.50
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 1/20 0.40
ELANE P08246 2/20 0.39
MGLL Q99685 1/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 2/20 0.39
CYP1A2 P05177 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.37
CHRM1 P11229 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL7425721 0.89 L3MBTL1 (0.41) L3MBTL1ATMALDH1A1ELANENPSR1
SCHEMBL712324 0.81 KMT2A (0.56) L3MBTL1ALDH1A1CYP3A4GAAPKM
SCHEMBL710572 0.80 CYP2D6 (0.46) L3MBTL1ALDH1A1CYP3A4CYP2D6CYP1A2
SCHEMBL2343500 0.79 ALDH1A1 (0.60) L3MBTL1ATMALDH1A1CYP3A4ELANE
SCHEMBL14806648 0.79 L3MBTL1 (0.57) L3MBTL1ATMALDH1A1ELANEGAA
SCHEMBL8458967 0.79 L3MBTL1 (0.53) L3MBTL1ATMALDH1A1CYP3A4ELANE
SCHEMBL1371273 0.78 MMP8 (0.50) ALDH1A1CYP3A4GAACYP2D6CYP1A2
SCHEMBL9806009 0.77 ELANE (0.47) L3MBTL1ATMALDH1A1ELANEGAA
SCHEMBL8103707 0.77 ALDH1A1 (0.45) L3MBTL1ALDH1A1CYP3A4GAACYP2D6
SCHEMBL1680117 0.77 ALDH1A1 (0.41) L3MBTL1ATMALDH1A1CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1260227-C 5-membered ring heterocyclic compounds with nitrogen TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-06-21 CN disclosed
CN-1413207-A 5-membered ring heterocyclic compounds with nitrogen TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-04-23 CN disclosed
US-5599823-A HYPOTENSIVE AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1997-02-04 US disclosed
US-5462851-A Silver halide photographic material FUJI PHOTO FILM CO., LTD. (JP) 1995-10-31 US disclosed
US-5238909-A For preemergence or postemergence use EASTMAN KODAK COMPANY (US) 1993-08-24 US disclosed
EP-0273659-A1 Azaspiro compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-07-06 EP disclosed
EP-0148883-A1 ALLOPURINOL PRODRUGS. GEA AS (DK) 1985-07-24 EP disclosed
WO-1985000368-A1 ALLOPURINOL PRODRUGS A/S GEA (DK) 1985-01-31 WO disclosed