SCHEMBL6957273

SCHEMBL6957273

CCNC(Cc1ccc(OCCn2ccc3ccccc3c2=O)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.47
PPARA Q07869 9/20 0.47
PPARD Q03181 3/20 0.47
ITGB1 P05556 1/20 0.46
ITGA4 P13612 1/20 0.46
TNF P01375 1/20 0.44
RAB9A P51151 1/20 0.43
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MME P08473 1/20 0.41
ACE P12821 1/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41

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
SCHEMBL6952622 0.91 TNF (0.44) PPARGPPARAPPARDITGB1ITGA4
SCHEMBL6957110 0.84 MAPK1 (0.62) ITGB1ITGA4RAB9AMAPK1
SCHEMBL6952202 0.81 PPARG (0.45) PPARGPPARAPPARDTNFRAB9A
SCHEMBL6948727 0.80 PPARG (0.56) PPARGPPARAPPARDTNFRAB9A
SCHEMBL6949013 0.78 PPARG (0.47) PPARGPPARAPPARD
SCHEMBL6954585 0.78 TNF (0.41) PPARGPPARAPPARDTNFRAB9A
SCHEMBL6952264 0.77 PPARG (0.48) PPARGPPARAPPARDITGB1ITGA4
SCHEMBL6945113 0.77 SMN1; SMN2 (0.63) PPARGITGB1ITGA4RAB9AKDM4E
SCHEMBL6956676 0.77 ACKR3 (0.54) PPARGPPARAITGB1ITGA4ITGB3
SCHEMBL6956263 0.77 PPARG (0.45) PPARGPPARAPPARDTNFRAB9A

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