SCHEMBL21246919

SCHEMBL21246919

COc1ccccc1-c1ccc(C(=O)c2ccc(-c3ccccc3OC)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.51
PTPN1 P18031 1/20 0.51
XDH P47989 1/20 0.51
ATM Q13315 1/20 0.51
FFAR2 O15552 5/20 0.51
MAPT P10636 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
LMNA P02545 2/20 0.50
STK10 O94804 1/20 0.50
SLK Q9H2G2 1/20 0.50
CYP2D6 P10635 1/20 0.50
HPGD P15428 1/20 0.50
PPARG P37231 1/20 0.50
PPARA Q07869 1/20 0.50
DHODH Q02127 1/20 0.49
ALDH1A1 P00352 1/20 0.49
RAB9A P51151 1/20 0.49
CYP3A4 P08684 1/20 0.48

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
SCHEMBL27847027 0.96 ATM (0.56) XDHATMFFAR2MAPTL3MBTL1
SCHEMBL1222758 0.87 RXRA (0.58) XDHFFAR2HPGDPPARGPPARA
SCHEMBL12189290 0.87 L3MBTL1 (0.60) PTPRCPTPN1XDHFFAR2MAPT
SCHEMBL29788043 0.86 EGFR (0.56) PTPRCPTPN1XDHFFAR2MAPT
SCHEMBL2050621 0.86 EGFR (0.56) PTPRCPTPN1XDHFFAR2MAPT
SCHEMBL2039480 0.86 FFAR2 (0.49) PTPRCPTPN1XDHFFAR2L3MBTL1
SCHEMBL2967361 0.86 MAPK8 (0.58) PTPRCPTPN1XDHFFAR2L3MBTL1
SCHEMBL27499555 0.84 LMNA (0.58) ATMMAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL14685999 0.83 CYP1A2 (0.65) ATMMAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL15709668 0.83 CYP1A2 (0.53) PTPRCPTPN1XDHFFAR2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111094557-B Alcohol dehydrogenase mutant and application thereof in synthesis of diaryl chiral alcohol 江南大学 2022-11-11 CN disclosed
CN-111433357-B Alcohol dehydrogenase mutant and application thereof in synthesis of diaryl chiral alcohol 江南大学 2022-11-11 CN disclosed
CN-111433357-A Alcohol dehydrogenase mutant and application thereof in synthesis of diaryl chiral alcohol 江南大学 2020-07-17 CN disclosed
WO-2019153634-A1 ALCOHOL DEHYDROGENASE MUTANT AND APPLICATION THEREOF IN SYNTHESIS OF BIARYL CHIRAL ALCOHOL 江南大学 2019-08-15 WO disclosed
WO-2019153633-A1 ALCOHOL DEHYDROGENASE MUTANT AND APPLICATION THEREOF IN SYNTHEISIS OF DIARYL CHIRAL ALCOHOL 江南大学 2019-08-15 WO disclosed
WO-2019153632-A1 ALCOHOL DEHYDROGENASE MUTANT AND APPLICATION THEREOF IN SYNTHEISIS OF DIARYL CHIRAL ALCOHOL 江南大学 2019-08-15 WO disclosed