SCHEMBL27657652

SCHEMBL27657652

Cc1cc(-c2c(C(C)C)cccc2C(C)C)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 8/20 0.51
HSD17B2 P37059 8/20 0.51
ESR2 Q92731 2/20 0.50
CYP3A4 P08684 3/20 0.45
GABRA1 P14867 3/20 0.45
LMNA P02545 3/20 0.45
GABRB2 P47870 2/20 0.45
SLC6A2 P23975 2/20 0.45
HTR2B P41595 2/20 0.45
GABRG2 P18507 2/20 0.45
GABRB3 P28472 2/20 0.45
FAAH O00519 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CYP1A2 P05177 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
GABRB1 P18505 1/20 0.45
PTGS1 P23219 1/20 0.45
HTR2C P28335 1/20 0.45

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
SCHEMBL7054359 0.89 LMNA (0.47) HSD17B1HSD17B2ESR2CYP3A4GABRA1
SCHEMBL27551548 0.84 GABRA1 (0.47) HSD17B1HSD17B2ESR2CYP3A4GABRA1
SCHEMBL27353893 0.81 GABRA1 (0.54) CYP3A4GABRA1LMNAGABRB2SLC6A2
SCHEMBL8346295 0.81 TLR8 (0.49) HSD17B1HSD17B2ESR2CYP3A4GABRA1
SCHEMBL27739782 0.80 TLR8 (0.49) HSD17B1HSD17B2ESR2CYP3A4GABRA1
SCHEMBL4598840 0.79 HSD17B1 (0.47) HSD17B1HSD17B2ESR2CYP3A4PTGS1
SCHEMBL30669856 0.79 HSD17B1 (0.47) HSD17B1HSD17B2ESR2CYP3A4PTGS1
SCHEMBL7056452 0.79 LMNA (0.39) HSD17B1HSD17B2ESR2CYP3A4LMNA
SCHEMBL27542039 0.79 HSD17B1 (0.60) HSD17B1HSD17B2ESR2CYP3A4CYP2D6
SCHEMBL22402528 0.77 GABRA1 (0.44) ESR2CYP3A4GABRA1LMNAGABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101002352-B Binder for fuel cell, composition for electrode formation, electrode, and fuel cell using the electrode MITSUI CHEMICALS INC 2010-10-20 CN disclosed
CN-100377405-C Fuel cell and method for producing same NIPPON ELECTRIC CO (JP) 2008-03-26 CN disclosed
CN-101002352-A Binder for fuel cell, composition for electrode formation, electrode, and fuel cell using the electrode MITSUI CHEMICALS INC (JP) 2007-07-18 CN disclosed
CN-1799160-A Fuel cell and method for producing the same NIPPON ELECTRIC CO (JP) 2006-07-05 CN disclosed