SCHEMBL6950757

SCHEMBL6950757

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.45
RAB9A P51151 1/20 0.43
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 3/20 0.41
RXFP1 Q9HBX9 2/20 0.41
HTT P42858 2/20 0.40
PPARG P37231 2/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
FFAR1 O14842 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 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
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
PTPN7 P35236 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
SCHEMBL6955388 0.85 MAPK1 (0.61) RAB9AMAPK1HTTLMNANPSR1
SCHEMBL6952404 0.79 TNF (0.46) TNFRAB9ARXFP1HTTPPARG
SCHEMBL6947078 0.79 SMN1; SMN2 (0.63) RAB9AMAPK1LMNAKMT2AMEN1
SCHEMBL6957101 0.79 L3MBTL1 (0.45) RAB9AMAPK1PPARGLMNAALDH1A1
SCHEMBL6956124 0.78 ACKR3 (0.50) MAPK1KDM4EHTTPPARGLMNA
SCHEMBL6948727 0.74 PPARG (0.56) TNFRAB9APPARGPPARDPPARA
SCHEMBL6950736 0.73 DRD3 (0.39) PPARGKMT2AMEN1PPARA
SCHEMBL6957273 0.73 PPARG (0.47) TNFRAB9AMAPK1KDM4ERXFP1
SCHEMBL6952907 0.73 TP53 (0.40) PPARGLMNANPSR1KMT2AMEN1
SCHEMBL6949189 0.73 MAPK1 (0.57) RAB9AMAPK1HTTLMNANPSR1

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