SCHEMBL7541041

SCHEMBL7541041

COc1ccc(NC(=O)Nc2ccc(C(CC(C)C)C(=O)NC(C/C=C/CC(NC(=O)Cc3ccccc3)C(=O)O)C(=O)O)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 1/20 0.51
▸ RAB9A P51151 3/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ MAPT P10636 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ CNR2 P34972 1/20 0.47
▸ ANPEP P15144 1/20 0.47
▸ HDAC3 O15379 1/20 0.47
▸ HDAC4 P56524 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC7 Q8WUI4 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC10 Q969S8 1/20 0.47
▸ HDAC11 Q96DB2 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ HDAC9 Q9UKV0 1/20 0.47
▸ HDAC5 Q9UQL6 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.44
▸ POLB P06746 1/20 0.44

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
SCHEMBL7541042 1.00 FPR2 (0.51) FPR2RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL7545902 0.94 ITGB1 (0.45) FPR2CTSLITGB1ITGA4
SCHEMBL7545897 0.94 ITGB1 (0.45) FPR2CTSLITGB1ITGA4
SCHEMBL7543419 0.91 ITGB1 (0.43) FPR2CTSLITGB1ITGA4
SCHEMBL7543424 0.91 ITGB1 (0.43) FPR2CTSLITGB1ITGA4
SCHEMBL7541614 0.91 CNR1 (0.46) FPR2ALDH1A1MAPTSMN1; SMN2CNR2
SCHEMBL7541611 0.91 CNR1 (0.46) FPR2ALDH1A1MAPTSMN1; SMN2CNR2
SCHEMBL7547339 0.90 CNR2 (0.45) FPR2ALDH1A1CNR2CTSLCTSK
SCHEMBL7547341 0.90 CNR2 (0.45) FPR2ALDH1A1CNR2CTSLCTSK
SCHEMBL7539503 0.90 FPR2 (0.56) FPR2RAB9AALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1209147-A1 CARBOXYLIC ACID DERIVATIVES AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2002-05-29 — — EP disclosed
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