SCHEMBL29664129

SCHEMBL29664129

COc1ccc(C2(c3ccc(OC)cc3)C=Cc3c4c(c5cc(OC)c(OC)cc5c3O2)-c2ccccc2C4(C)C)cc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.32
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 2/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 2/20 0.32
TSHR P16473 2/20 0.32
CYP2C19 P33261 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CES2 O00748 2/20 0.31
EIF4A1 P60842 3/20 0.31
POLB P06746 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA13 Q8N1Q1 1/20 0.30

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
SCHEMBL1009516 1.00 PGR (0.32) PGRKMT2AALDH1A1MEN1LMNA
SCHEMBL29453311 0.98 MEN1 (0.32) PGRKMT2AALDH1A1MEN1LMNA
SCHEMBL1046559 0.98 MEN1 (0.32) PGRKMT2AALDH1A1MEN1LMNA
SCHEMBL15449561 0.94 PGR (0.30) PGRKMT2AALDH1A1MEN1LMNA
SCHEMBL25605048 0.93 CA12 (0.32) CES2CA12CA1CA7CA9
SCHEMBL10293135 0.93 EDNRB (0.33) KMT2AALDH1A1MEN1LMNAHTT
SCHEMBL25697240 0.92 LMNA (0.30) LMNAMAPT
SCHEMBL4572108 0.92
SCHEMBL15247943 0.92
SCHEMBL26512625 0.91 MAPT (0.34) KMT2AALDH1A1MEN1LMNAHTT

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