SCHEMBL27985805

SCHEMBL27985805

CC(C)(C)c1cc(CCC(=O)OCc2ccccc2O)c(O)c(C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.39
PTGS2 P35354 2/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
TYR P14679 1/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
IAPP P10997 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP2D6 P10635 1/20 0.34

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
Ethane SCHEMBL9248574 0.82 GAA (0.40) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL28153603 0.81 ALOX5 (0.54) ALOX5PTGS2CYP1A2CYP3A4CYP2C9
SCHEMBL27450776 0.81 CYP4F2 (0.44) CYP4F2CYP4A11CYP1A2CYP3A4CYP2C9
SCHEMBL3163194 0.80 GAA (0.39) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL11817566 0.80 GAA (0.38) ALOX5PTGS2CYP1A2CYP3A4CYP2C9
SCHEMBL2022442 0.80 GAA (0.39) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL29634849 0.80 GAA (0.39) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL7941206 0.79 VCAM1 (0.39) CYP4F2CYP4A11CYP1A2CYP3A4CYP2C9
SCHEMBL2098961 0.79 NR5A2 (0.40) CYP2C19NPSR1
SCHEMBL8854376 0.79 VCAM1 (0.48) CYP2C19NPSR1

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
CN-103108888-B Method for producing stabilized polymer ADEKA CORP 2014-12-10 CN disclosed