SCHEMBL7544716

SCHEMBL7544716

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ MAPT P10636 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ MYOC Q99972 1/20 0.43
▸ 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
▸ ITGB1 P05556 6/20 0.41
▸ ITGA4 P13612 6/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ GAA P10253 1/20 0.39
▸ MMP1 P03956 1/20 0.39
▸ FCER2 P06734 1/20 0.39
▸ CTSL P07711 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ FPR2 P25090 1/20 0.38

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
SCHEMBL7544720 1.00 MEN1 (0.46) MEN1KMT2AMAPTNPSR1MYOC
SCHEMBL7545902 0.91 ITGB1 (0.45) ITGB1ITGA4CTSLFPR2
SCHEMBL7545897 0.91 ITGB1 (0.45) ITGB1ITGA4CTSLFPR2
SCHEMBL7538904 0.90 MEN1 (0.48) MEN1KMT2AMAPTNPSR1MYOC
SCHEMBL7541614 0.89 CNR1 (0.46) MAPTSMN1; SMN2ITGB1ITGA4ALDH1A1
SCHEMBL7543424 0.89 ITGB1 (0.43) ITGB1ITGA4CTSLFPR2
SCHEMBL7541611 0.89 CNR1 (0.46) MAPTSMN1; SMN2ITGB1ITGA4ALDH1A1
SCHEMBL7543419 0.89 ITGB1 (0.43) ITGB1ITGA4CTSLFPR2
SCHEMBL7547341 0.88 CNR2 (0.45) ITGB1ITGA4ALDH1A1CTSLLMNA
SCHEMBL7547339 0.88 CNR2 (0.45) ITGB1ITGA4ALDH1A1CTSLLMNA

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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