SCHEMBL28329591

SCHEMBL28329591

CC(C)c1ccccc1C1=Cc2cccc3cccc1c23

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 2/20 0.38
CASP1 P29466 2/20 0.38
CASP7 P55210 2/20 0.38
PABPC1 P11940 1/20 0.38
DNMT1 P26358 1/20 0.38
CDC25A P30304 1/20 0.38
CDC25B P30305 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
ALDH1A1 P00352 3/20 0.36
TSHR P16473 3/20 0.36
HSD17B10 Q99714 2/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL28962436 0.78 MAPK1 (0.55) MAPK1MEN1MAPTKMT2ACYP3A4
SCHEMBL8886599 0.77 MAPK1 (0.49) MAPK1MEN1MAPTKMT2ACYP3A4
SCHEMBL28330827 0.76 GPR84 (0.42) MAPK1MEN1MAPTKMT2ACYP3A4
SCHEMBL28330820 0.75 PTPN1 (0.56) MAPK1MEN1MAPTKMT2ACYP3A4
SCHEMBL28071724 0.74 MAPK1 (0.53) MAPK1MEN1MAPTKMT2ACYP3A4
SCHEMBL8883107 0.74 MAPK1 (0.44) MAPK1MEN1MAPTKMT2ACYP3A4
SCHEMBL28330822 0.73 MAPT (0.50) MAPK1MEN1MAPTKMT2ACYP3A4
SCHEMBL28329589 0.73 PTGS2 (0.47) MAPK1MEN1MAPTKMT2ACA1
SCHEMBL9170583 0.73 GABRA1 (0.52) MAPK1MAPTCYP3A4CA1CA2
SCHEMBL4560752 0.73 MAPK1 (0.52) MAPK1MEN1MAPTKMT2ACYP3A4

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-110483571-A (1- (substituted-phenyl) acenaphthylene base)-two (3,5- bis- (trifluoromethyl)) phenyl phosphine compound and preparation method thereof UNIV SCIENCE & TECHNOLOGY CHINA 2019-11-22 CN disclosed