SCHEMBL7538904

SCHEMBL7538904

CC(C)CC(C(=O)NC(Cc1ccccc1CC(NC(=O)Cc1ccccc1)C(=O)O)C(=O)O)c1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ MAPT P10636 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ MYOC Q99972 1/20 0.43
▸ MMP1 P03956 1/20 0.43
▸ FCER2 P06734 1/20 0.43
▸ ITGB1 P05556 4/20 0.42
▸ ITGA4 P13612 4/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ PPIA P62937 1/20 0.42
▸ MMP2 P08253 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ PSMB1 P20618 1/20 0.40
▸ PSMB5 P28074 1/20 0.40
▸ PSMB2 P49721 1/20 0.40
▸ SSTR3 P32745 1/20 0.40
▸ FPR2 P25090 3/20 0.40

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
SCHEMBL7544065 0.91 ITGB1 (0.47) ITGB1ITGA4MMP2FPR2
SCHEMBL7544716 0.90 MEN1 (0.46) MEN1KMT2AMAPTNPSR1MYOC
SCHEMBL7544720 0.90 MEN1 (0.46) MEN1KMT2AMAPTNPSR1MYOC
SCHEMBL7546030 0.89 MEN1 (0.42) MEN1KMT2AMAPTNPSR1MYOC
SCHEMBL7545886 0.89 ITGB1 (0.47) MAPTITGB1ITGA4SMN1; SMN2MMP2
SCHEMBL7549214 0.89 ACE (0.46) ITGB1ITGA4MMP2FPR2
SCHEMBL7539243 0.88 CNR2 (0.45) KMT2AITGB1ITGA4MMP2PSMB1
SCHEMBL7539503 0.87 FPR2 (0.56) MAPTMMP1ITGB1ITGA4SMN1; SMN2
SCHEMBL7541665 0.85 MEN1 (0.46) MEN1KMT2AMMP1FCER2ITGB1
SCHEMBL7545871 0.84 RNASEL (0.43) MMP1MMP2GAA

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
Send feedback