SCHEMBL30863753

SCHEMBL30863753

CC(C)(C)CCc1cc2ccccc2c(-c2c(O)c(CCC(C)(C)C)cc3ccccc23)c1O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.40
NQO1 P15559 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
ALOX5 P09917 1/20 0.37
TRPM4 Q8TD43 1/20 0.35
NQO2 P16083 1/20 0.34
ATM Q13315 1/20 0.34
AKR1B1 P15121 1/20 0.34
ME2 P23368 1/20 0.34
ME1 P48163 1/20 0.34
ME3 Q16798 1/20 0.34
POLB P06746 1/20 0.33
GPR35 Q9HC97 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
SCHEMBL16978927 0.83 GPR84 (0.39) GPR84NQO1MEN1MAPTKMT2A
SCHEMBL21615614 0.81 GPR84 (0.57) GPR84NQO1MEN1MAPTKMT2A
SCHEMBL16983223 0.78 GPR84 (0.49) GPR84NQO1MEN1MAPTKMT2A
SCHEMBL8777328 0.77 ALOX5 (0.44) GPR84NQO1MEN1MAPTKMT2A
SCHEMBL15037543 0.73 MAPT (0.44) GPR84MEN1MAPTKMT2AALOX5
SCHEMBL5727179 0.72 MAPT (0.43) GPR84NQO1MEN1MAPTKMT2A
SCHEMBL22229791 0.71 ME2 (0.52) GPR84NQO1MAPTALOX5TRPM4
SCHEMBL16324650 0.71 GPR84 (0.43) GPR84MEN1MAPTKMT2AALOX5
SCHEMBL17351882 0.71 TSHR (0.56) GPR84MEN1MAPTKMT2AATM
SCHEMBL2295837 0.70 CA2 (0.43) GPR84NQO1MEN1MAPTKMT2A

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-111410648-B Chiral c-KIT inhibitor drug key intermediate and preparation method thereof 浙江海正药业股份有限公司 2024-03-29 CN disclosed