SCHEMBL29664192

SCHEMBL29664192

Cc1ccc2c3c(cc(O)c2c1)C(C)(C)c1ccc(Br)cc1-3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
CNR2 P34972 5/20 0.33
CNR1 P21554 4/20 0.33
TRPA1 O75762 2/20 0.33
TRPV1 Q8NER1 2/20 0.33
TRPV3 Q8NET8 2/20 0.33
TRPV4 Q9HBA0 2/20 0.33
TRPV2 Q9Y5S1 2/20 0.33
ALK Q9UM73 2/20 0.32
HTR2A P28223 2/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
CYP2B6 P20813 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
OPRM1 P35372 1/20 0.32
CYP2J2 P51589 1/20 0.32

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
SCHEMBL1962765 1.00 CSNK2A2 (0.40) CSNK2A2CSNK2BCSNK2A1CNR2CNR1
SCHEMBL10134245 0.81 PDK2 (0.35) CNR2CNR1TRPA1TRPV1TRPV3
SCHEMBL1962962 0.81 CSNK2A2 (0.34) CSNK2A2CSNK2BCSNK2A1ALKCASP3
SCHEMBL29664007 0.81 CSNK2A2 (0.34) CSNK2A2CSNK2BCSNK2A1ALKCASP3
SCHEMBL3141421 0.81 PDK2 (0.36) ALKHTR2ASLC6A2SLC6A4OPRM1
SCHEMBL16713268 0.81 CNR2 (0.37) CSNK2A2CSNK2BCSNK2A1CNR2ALK
SCHEMBL1959081 0.79 WDR5 (0.38) ALK
SCHEMBL9929565 0.77 CASP3 (0.33) CASP3RAB9AATMNPSR1SENP8
SCHEMBL29663911 0.77 CASP3 (0.33) CASP3RAB9AATMNPSR1SENP8
SCHEMBL160603 0.73 PDK2 (0.37) OPRM1BCL2MCL1

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-107253943-B Photochromic compounds and compositions 光学转变公司 2022-05-17 CN disclosed