SCHEMBL6950764

SCHEMBL6950764

CCNC(Cc1ccc(OCC(C)N2CN(CC)c3ccc(C)cc3C2=O)cc1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 2/20 0.36
ITGA4 P13612 2/20 0.36
TP53 P04637 2/20 0.35
ITGB3 P05106 6/20 0.34
ITGA2B P08514 6/20 0.34
PPARG P37231 4/20 0.34
MME P08473 4/20 0.33
ACE P12821 4/20 0.33
CPA1 P15085 4/20 0.33
ACE2 Q9BYF1 4/20 0.33
MAPT P10636 2/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL6948125 0.93 ALDH1A1 (0.35) TP53MAPT
SCHEMBL6948070 0.85 TP53 (0.35) TP53PPARGMAPTPPARA
SCHEMBL25764848 0.67 TDP1 (0.52) ITGB1ITGA4PPARGMMEACE
SCHEMBL25764849 0.67 TDP1 (0.52) ITGB1ITGA4PPARGMMEACE
SCHEMBL6947291 0.65 DRD2 (0.36) TP53
SCHEMBL16116802 0.64 LDHA (0.63) PPARGPPARA
SCHEMBL839542 0.64 LDHA (0.63) PPARGPPARA
SCHEMBL6483477 0.64 PPARG (0.65) PPARGMMEACECPA1ACE2
SCHEMBL6954155 0.63 PPARG (0.43) ITGB1ITGA4ITGB3ITGA2BPPARG
SCHEMBL6952000 0.63 ITGB3 (0.41) ITGB1ITGA4ITGB3ITGA2BPPARG

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
EP-0903343-B1 Alpha-Substituted phenylpropionic acid derivative and medicine containing the same SSP CO LTD (JP) 2003-05-28 EP disclosed
EP-0903343-A1 Alpha-Substituted phenylpropionic acid derivative and medicine containing the same SSP Co., Ltd. (JP) 1999-03-24 EP disclosed