Sugi Predict

Sugi Predict / Compounds / SCHEMBL7538830

SCHEMBL7538830

SCHEMBL7538830

O=C(O)[C@H](Cc1ccc(OCC2CCCCC2)cc1)NC(=O)[C@H](CCCc1ccccc1)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 6/20 0.50
▸ ACE P12821 6/20 0.50
▸ CPA1 P15085 6/20 0.50
▸ ACE2 Q9BYF1 6/20 0.50
▸ ITGB3 P05106 5/20 0.47
▸ ITGA2B P08514 5/20 0.47
▸ MMP1 P03956 6/20 0.46
▸ FCER2 P06734 1/20 0.46
▸ MMP2 P08253 5/20 0.45
▸ MMP3 P08254 5/20 0.45
▸ YAP1 P46937 1/20 0.45
▸ ITGAV P06756 1/20 0.43

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
SCHEMBL7538825 1.00 MME (0.50) MMEACECPA1ACE2ITGB3
SCHEMBL7538836 1.00 MME (0.50) MMEACECPA1ACE2ITGB3
SCHEMBL7538481 0.92 YAP1 (0.47) MMP1FCER2MMP2MMP3YAP1
SCHEMBL7538477 0.92 YAP1 (0.47) MMP1FCER2MMP2MMP3YAP1
SCHEMBL7538472 0.92 YAP1 (0.47) MMP1FCER2MMP2MMP3YAP1
SCHEMBL7538205 0.86 MMP1 (0.55) MMEACECPA1ACE2ITGB3
SCHEMBL7538473 0.84 MMP1 (0.52) MMEACECPA1ACE2ITGB3
SCHEMBL7541287 0.79 MME (0.52) MMEACECPA1ACE2ITGB3
SCHEMBL7541280 0.79 MME (0.52) MMEACECPA1ACE2ITGB3
SCHEMBL7541284 0.79 MME (0.52) MMEACECPA1ACE2ITGB3

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