SCHEMBL7683025

SCHEMBL7683025

O=C(O)Cc1cn(Cc2ccccc2)c2ccc(-c3ccccc3)cc12

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ICMT O60725 11/20 0.68
CNR2 P34972 1/20 0.65
ALDH1A1 P00352 1/20 0.62
LMNA P02545 1/20 0.62
PLA2G2A P14555 4/20 0.60
PLA2G4A P47712 1/20 0.56
SERPINE1 P05121 1/20 0.55

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
SCHEMBL8176472 0.88 ALDH1A1 (0.55) ICMTCNR2ALDH1A1LMNAPLA2G2A
SCHEMBL2004159 0.85 PLA2G2A (0.81) ICMTCNR2ALDH1A1LMNAPLA2G2A
SCHEMBL20769700 0.85 LMNA (0.75) ICMTCNR2ALDH1A1LMNAPLA2G2A
SCHEMBL8166905 0.85 PPARD (0.74) ICMTCNR2ALDH1A1LMNAPLA2G2A
SCHEMBL5063040 0.85 ICMT (0.55) ICMTCNR2ALDH1A1LMNAPLA2G2A
SCHEMBL7679351 0.84 ALDH1A1 (0.62) ICMTALDH1A1LMNAPLA2G2APLA2G4A
SCHEMBL2051630 0.83 ALDH1A1 (0.80) ALDH1A1LMNAPLA2G2A
SCHEMBL8174602 0.82 PPARD (0.70) ICMTALDH1A1LMNAPLA2G2A
SCHEMBL7677107 0.82 ALDH1A1 (0.52) ICMTCNR2ALDH1A1LMNAPLA2G2A
SCHEMBL20769739 0.81 PLA2G2A (0.83) ICMTALDH1A1LMNAPLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1310706-A Phospholipase inhibitors GENETICS INST (US) 2001-08-29 CN claimed
EP-1062205-A2 INHIBITORS OF PHOSPHOLIPASE ENZYMES GENETICS INSTITUTE, INC. (US) 2000-12-27 EP claimed
WO-1999043654-A2 INHIBITORS OF PHOSPHOLIPASE ENZYMES GENETICS INSTITUTE, INC. (US) 1999-09-02 WO claimed
US-6500853-B1 ENZYME INHIBITORS SUCH AS 4-((1-BENZHYDRYL-5-(((BUTYLAMINO)-CARBONYL)AMINO)-1H-INDOL-3-YL)METHYL)-3 -METHOXYBENZOIC ACID USED AS ANTIINFLAMMATORY AGENTS FOR PROPHYLAXIS OF ARTHRITIS, INFLAMMATORY BOWEL DISEASE OR ASTHMA GENETICS INSTITUTE, LLC 2002-12-31 US disclosed
EP-1062205-A2 INHIBITORS OF PHOSPHOLIPASE ENZYMES GENETICS INSTITUTE, INC. (US) 2000-12-27 EP disclosed
WO-1999043654-A2 INHIBITORS OF PHOSPHOLIPASE ENZYMES GENETICS INSTITUTE, INC. (US) 1999-09-02 WO disclosed