SCHEMBL9373764

SCHEMBL9373764

C=C(Cc1cc2ccccc2n1Cc1ccccc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 5/20 0.57
▸ PPARG P37231 1/20 0.47
▸ AGTR1 P30556 1/20 0.46
▸ AGTR2 P50052 1/20 0.46
▸ PLA2G10 O15496 1/20 0.44
▸ TP53 P04637 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ CNR1 P21554 1/20 0.42
▸ CNR2 P34972 1/20 0.42

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
SCHEMBL31402270 0.77 CCR2 (0.59) CCR2PPARGAGTR1AGTR2PLA2G10
SCHEMBL4802191 0.77 CCR2 (0.59) CCR2PPARGAGTR1AGTR2PLA2G10
SCHEMBL7151151 0.77 CCR2 (0.52) CCR2PPARGAGTR1AGTR2LMNA
SCHEMBL30665831 0.76 DAO (0.36) CCR2ALDH1A1
SCHEMBL7554153 0.75 CCR2 (0.57) CCR2PPARGAGTR1AGTR2HDAC1
SCHEMBL1868317 0.75 LMNA (0.56) CCR2TP53LMNAKDM4EALDH1A1
SCHEMBL11033122 0.74 CCR2 (0.56) CCR2PPARGAGTR1AGTR2PLA2G10
SCHEMBL15151075 0.74 CCR2 (0.56) CCR2PPARGAGTR1AGTR2PLA2G10
SCHEMBL5624852 0.74 CCR2 (0.77) CCR2PPARGPLA2G10
SCHEMBL5378162 0.73 CCR2 (1.00) CCR2PLA2G10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0377450-B1 Substituted indole, benzofuran and benzothiophene derivatives as 5-lipoxygenase inhibitors DU PONT MERCK PHARMA (US) 1994-07-27 — — EP disclosed
US-5093351-A Antiinflammatory agents DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-03-03 — — US disclosed
EP-0377450-A1 Substituted indole, benzofuran and benzothiophene derivatives as 5-lipoxygenase inhibitors THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1990-07-11 — — EP disclosed
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