SCHEMBL29664172

SCHEMBL29664172

COc1ccc(C2(c3ccc(OC)cc3)C=Cc3c4c(c5cc(OC)c(OC)cc5c3O2)-c2ccc(C(F)(F)F)cc2C4(C)C)cc1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP2C19 P33261 1/20 0.31
LMNA P02545 1/20 0.31
NR1H4 Q96RI1 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 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
SCHEMBL3959108 1.00 RAB9A (0.32) RAB9AL3MBTL1CYP2C19LMNANR1H4
SCHEMBL4188623 0.97 PAX8 (0.31) RAB9AL3MBTL1
SCHEMBL25605282 0.97 TP53 (0.33) RAB9AL3MBTL1CYP2C19LMNANR1H4
SCHEMBL3958868 0.94 LMNA (0.36) L3MBTL1LMNAMAPT
SCHEMBL1186910 0.94 ALDH1A1 (0.35)
SCHEMBL31337370 0.94 ALDH1A1 (0.35)
SCHEMBL3953598 0.93 ALK (0.34) LMNA
SCHEMBL30750473 0.92 PTGDR2 (0.34)
SCHEMBL1815536 0.92 PTGDR2 (0.34)
SCHEMBL25607021 0.92 LMNA (0.34) RAB9AL3MBTL1CYP2C19LMNAKDM4E

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