SCHEMBL6957154

SCHEMBL6957154

CCOC(=O)C(Cc1ccc(OCCn2ccc3ccccc3c2=O)cc1)SC(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.49
PPARG P37231 9/20 0.43
PPARA Q07869 7/20 0.43
PPARD Q03181 1/20 0.43
KDM4E B2RXH2 2/20 0.43
RAB9A P51151 2/20 0.41
RXFP1 Q9HBX9 1/20 0.40
MAPK1 P28482 1/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PSMB1 P20618 1/20 0.38
PSMB5 P28074 1/20 0.38
LMNA P02545 2/20 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
SCHEMBL6952202 0.90 PPARG (0.45) TNFPPARGPPARAPPARDRAB9A
SCHEMBL6954580 0.89 TNF (0.41) TNFPPARGPPARAPPARDKDM4E
SCHEMBL6948903 0.85 MAPK1 (0.57) RAB9AMAPK1HTTMEN1ALDH1A1
SCHEMBL6948727 0.80 PPARG (0.56) TNFPPARGPPARAPPARDRAB9A
SCHEMBL6955376 0.78 ACKR3 (0.49) PPARGKDM4EHTTGAACYP2C9
SCHEMBL6956263 0.77 PPARG (0.45) TNFPPARGPPARAPPARDRAB9A
SCHEMBL6957273 0.77 PPARG (0.47) TNFPPARGPPARAPPARDKDM4E
SCHEMBL6953552 0.76 HTT (0.61) RAB9AMAPK1HTTMEN1ALDH1A1
SCHEMBL6952622 0.76 TNF (0.44) TNFPPARGPPARAPPARDKDM4E
SCHEMBL6954585 0.76 TNF (0.41) TNFPPARGPPARAPPARDKDM4E

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