SCHEMBL3679812

SCHEMBL3679812

CCCCOC(=O)C(Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR5A2 O00482 1/20 0.47
NR5A1 Q13285 1/20 0.47
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
ESR1 P03372 7/20 0.39
RXRA P19793 3/20 0.38
PPARG P37231 2/20 0.38
GAA P10253 2/20 0.37
XBP1 P17861 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
AKR1C4 P17516 1/20 0.33
AKR1C3 P42330 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
SCHEMBL30021174 1.00 NR5A2 (0.47) NR5A2NR5A1CYP1A2CYP3A4CYP2C9
SCHEMBL27459727 0.95 NR5A2 (0.46) NR5A2NR5A1CYP1A2CYP3A4CYP2C9
SCHEMBL28948169 0.91 NR5A2 (0.47) NR5A2NR5A1CYP1A2CYP3A4CYP2C9
SCHEMBL7649243 0.85 CYP2C19 (0.39) NR5A2NR5A1CYP1A2CYP3A4CYP2C9
SCHEMBL3124479 0.83 CYP2C19 (0.46) NR5A2NR5A1CYP1A2CYP3A4CYP2C9
SCHEMBL4830860 0.83 HMGCR (0.47) NR5A2NR5A1CYP1A2CYP3A4TSHR
SCHEMBL28078971 0.81 NR5A2 (0.44) NR5A2NR5A1CYP1A2CYP3A4CYP2C9
SCHEMBL28315152 0.79 HSPA5 (0.43) NR5A2NR5A1ESR1AKR1C4AKR1C3
SCHEMBL28527438 0.79 HSPA5 (0.47) CYP2C9CYP2C19ESR1ALDH1A1AKR1C4
SCHEMBL11662404 0.78 ESR1 (0.41) NR5A2NR5A1CYP1A2TSHRCYP2C19

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3221393-A1 STABILIZER COMPOSITIONS AND METHODS FOR USING SAME FOR PROTECTING ORGANIC MATERIALS FROM UV LIGHT AND THERMAL DEGRADATION Cytec Industries Inc. (US) 2017-09-27 EP disclosed
WO-2016081823-A1 STABILIZER COMPOSITIONS AND METHODS FOR USING SAME FOR PROTECTING ORGANIC MATERIALS FROM UV LIGHT AND THERMAL DEGRADATION CYTEC INDUSTRIES INC. (US) 2016-05-26 WO disclosed
EP-2190903-A1 CYCLIC PHOSPHINES AS FLAME RETARDANTS BASF SE (DE) 2010-06-02 EP disclosed
WO-2009030708-A1 CYCLIC PHOSPHINES AS FLAME RETARDANTS BASF SE (DE) 2009-03-12 WO disclosed
EP-1594904-A1 PHOTOCURABLE COMPOSITIONS Ciba SC Holding AG (CH) 2005-11-16 EP disclosed
EP-1499645-A1 INCORPORABLE PHOTOINITIATOR Ciba SC Holding AG (CH) 2005-01-26 EP disclosed
WO-2004074328-A1 PHOTOCURABLE COMPOSITIONS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-09-02 WO disclosed
WO-2003091287-A1 INCORPORABLE PHOTOINITIATOR CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-11-06 WO disclosed