SCHEMBL17260583

SCHEMBL17260583

Cc1cc(C(C)(C(=O)O)c2cc(C)c(O)c(CC(C)C)c2)cc(CC(C)C)c1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.37
GABRB2 P47870 2/20 0.37
CYP2C9 P11712 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.34
SHMT1 P34896 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
TSHR P16473 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HMGB1 P09429 1/20 0.33
CXCL12 P48061 1/20 0.33
THRA P10827 1/20 0.31

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
SCHEMBL15425832 0.79 CYP2C9 (0.45) CYP2C9CYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL12526201 0.73 CYP2C9 (0.40) CYP2C9CYP1A2CYP2D6CYP2C19L3MBTL1
SCHEMBL10800354 0.72 CYP2C19 (0.55) GABRA1GABRB2CYP2C9CYP1A2CYP2D6
SCHEMBL6934299 0.72 GABRA1 (0.47) GABRA1GABRB2CYP2C9CYP2D6CYP2C19
SCHEMBL9460254 0.72 ALOX15 (0.55) GABRA1GABRB2CYP2C9CYP1A2CYP2D6
SCHEMBL16418311 0.72 AKR1C2 (0.42) GABRA1GABRB2CYP2C9CYP1A2CYP2D6
SCHEMBL462695 0.71 CYP2C9 (0.55) GABRA1GABRB2CYP2C9CYP1A2CYP2C19
SCHEMBL19994977 0.71 GABRA1 (0.40) GABRA1GABRB2CYP2C9ATMESR1
SCHEMBL28666259 0.71 THRA (0.47) GABRA1GABRB2THRATHRBSHBG
SCHEMBL23387416 0.71 GABRA1 (0.53) GABRA1GABRB2ESR1ESR2HMGB1

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-3143086-A1 STABILISED RESIN COMPOSITION SABIC Global Technologies B.V. (NL) 2017-03-22 EP disclosed
WO-2015173315-A1 STABILISED RESIN COMPOSITION SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2015-11-19 WO disclosed