SCHEMBL4613191

SCHEMBL4613191

CCCCCCCCC(C)(C(=O)O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR5A2 O00482 1/20 0.50
NR5A1 Q13285 1/20 0.50
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.39
RECQL P46063 1/20 0.39
F2R P25116 1/20 0.38
GABBR2 O75899 1/20 0.38
GABBR1 Q9UBS5 1/20 0.38
GLRA3 O75311 1/20 0.38
GLRB P48167 1/20 0.38
RXRA P19793 2/20 0.37
GAA P10253 2/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
KMT2A Q03164 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37

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
SCHEMBL223689 0.92 NR5A2 (0.46) NR5A2NR5A1CYP1A2CYP3A4CYP2C9
SCHEMBL11782328 0.92 NR5A2 (0.46) NR5A2NR5A1CYP1A2CYP3A4CYP2C9
SCHEMBL28952443 0.92 NR5A2 (0.46) NR5A2NR5A1CYP1A2CYP3A4CYP2C9
SCHEMBL206202 0.92 NR5A2 (0.46) NR5A2NR5A1CYP1A2CYP3A4CYP2C9
SCHEMBL1576411 0.92 NR5A2 (0.46) NR5A2NR5A1CYP1A2CYP3A4CYP2C9
SCHEMBL5415844 0.92 NR5A2 (0.46) NR5A2NR5A1CYP1A2CYP3A4CYP2C9
SCHEMBL11459321 0.92 NR5A2 (0.46) NR5A2NR5A1CYP1A2CYP3A4CYP2C9
SCHEMBL11019109 0.85 GLRA3 (0.44) NR5A2NR5A1CYP1A2CYP3A4TSHR
SCHEMBL4138805 0.85 GLRA3 (0.44) NR5A2NR5A1CYP1A2CYP3A4TSHR
SCHEMBL29269149 0.81 CA1 (0.40) NR5A2NR5A1F2RRXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633799-B1 PRODUCTION OF POLYETHER ALCOHOLS BY USING DMC CATALYSIS BASF SE (DE) 2008-10-15 EP disclosed