SCHEMBL7530465

SCHEMBL7530465

C=CCc1c(O)c(C)c(C)c2c1CCC(C)(C)O2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.42
TSHR P16473 2/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
CYP1A2 P05177 1/20 0.42
MAPT P10636 2/20 0.37
LMNA P02545 2/20 0.37
TTPA P49638 2/20 0.37
USP2 O75604 2/20 0.37
CYP2C9 P11712 2/20 0.37
MEN1 O00255 1/20 0.37
GSTP1 P09211 1/20 0.37
KMT2A Q03164 1/20 0.37
THRB P10828 1/20 0.37
CYP2C19 P33261 1/20 0.37
NR1I2 O75469 2/20 0.36
ALOX5 P09917 5/20 0.36
CCR5 P51681 1/20 0.36
CYP4F2 P78329 1/20 0.33
TP53 P04637 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
SCHEMBL1285627 0.85 CYP19A1 (0.44) CYP3A4TSHRPTGS1PTGS2CYP1A2
SCHEMBL14283899 0.84 CYP3A4 (0.47) CYP3A4TSHRPTGS1PTGS2CYP1A2
SCHEMBL14283909 0.84 CYP3A4 (0.47) CYP3A4TSHRPTGS1PTGS2CYP1A2
SCHEMBL9027783 0.83 CYP3A4 (0.42) CYP3A4TSHRPTGS1PTGS2CYP1A2
SCHEMBL1285385 0.83 PTGS1 (0.38) CYP3A4TSHRPTGS1PTGS2CYP1A2
SCHEMBL5769978 0.82 CYP3A4 (0.46) CYP3A4TSHRPTGS1PTGS2CYP1A2
SCHEMBL1285320 0.81 CYP3A4 (0.44) CYP3A4TSHRPTGS1PTGS2CYP1A2
SCHEMBL5772521 0.80 CYP3A4 (0.43) CYP3A4TSHRPTGS1PTGS2CYP1A2
SCHEMBL1286069 0.79 ALOX5 (0.43) CYP3A4TSHRPTGS1PTGS2CYP1A2
SCHEMBL1286072 0.79 ALOX5 (0.43) CYP3A4TSHRPTGS1PTGS2CYP1A2

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-1196405-A1 A COMONOMER, AND A POLYMER STABILIZED WITH IT DURING POLYMERIZATION VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 2002-04-17 EP disclosed
WO-2001005781-A1 A COMONOMER, AND A POLYMER STABILIZED WITH IT DURING POLYMERIZATION VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 2001-01-25 WO disclosed