SCHEMBL7539441

SCHEMBL7539441

CC(C)CC(C(=O)O)c1ccc(NC(=O)Nc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 1/20 0.54
▸ SENP7 Q9BQF6 1/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ EPHX1 P07099 2/20 0.52
▸ TP53 P04637 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ EPHX2 P34913 1/20 0.52
▸ CDK9 P50750 1/20 0.52
▸ CLK4 Q9HAZ1 1/20 0.52
▸ RAB9A P51151 4/20 0.51
▸ NPC1 O15118 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ TAAR1 Q96RJ0 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ CRHBP P24387 1/20 0.50
▸ CRHR2 Q13324 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ FPR2 P25090 3/20 0.49
▸ MEN1 O00255 2/20 0.49

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
SCHEMBL7539973 0.85 GRIA4 (0.54) SMN1; SMN2RAB9ANPC1KMT2ALMNA
SCHEMBL1716112 0.82 CYP2C19 (0.53) SMN1; SMN2LMNAALDH1A1CTSSCTSK
SCHEMBL27564140 0.80 FPR2 (0.46) CASP3SENP7SMN1; SMN2EPHX1TP53
SCHEMBL6136348 0.79 CASP3 (0.63) CASP3SENP7SMN1; SMN2EPHX1TP53
SCHEMBL7160698 0.79 CTSK (0.64) TSHRKMT2AMEN1CTSSCTSK
SCHEMBL6931854 0.79 CASP3 (0.54) CASP3SENP7SMN1; SMN2EPHX1TP53
SCHEMBL4117858 0.79 RAB9A (0.67) CASP3SENP7SMN1; SMN2EPHX1TP53
SCHEMBL27564138 0.78 CRHBP (0.47) RAB9ANPC1KMT2ACRHBPCRHR2
SCHEMBL7540054 0.77 HDAC1 (0.53) KMT2AMEN1MAPTALDH1A1
SCHEMBL29142718 0.76 SMN1; SMN2 (0.61) CASP3SENP7SMN1; SMN2EPHX1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1376143-A Carboxylic acid derivatives and adhesion molecule inhibitors containing the same as the active ingredient TORAY INDUSTRIES (JP) 2002-10-23 — — CN disclosed
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
Send feedback