SCHEMBL17148016

SCHEMBL17148016

COc1ccc(C2(c3ccc(OC(C)=O)c(-c4ccccc4)c3)c3ccccc3-c3ccccc32)cc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.44
TSHR P16473 3/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
ADORA3 P0DMS8 2/20 0.40
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
FABP3 P05413 1/20 0.39
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39
ALOX5 P09917 1/20 0.38
TNFSF11 O14788 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL15807754 0.88 ESR1 (0.46) TSHRESR1ESR2MAOAMAOB
SCHEMBL25711330 0.87 MAOA (0.39) BACE1ESR1ESR2MAOAMAOB
SCHEMBL822520 0.82 ESR1 (0.52) BACE1TSHRESR1ESR2TNFSF11
SCHEMBL13144069 0.80 BACE1 (0.58) BACE1TSHRMAOAMAOBADORA3
SCHEMBL13446409 0.80 ESR1 (0.49) BACE1TSHRESR1ESR2LMNA
SCHEMBL12438743 0.80 BACE1 (0.43) BACE1TSHRMAOAMAOBADORA3
SCHEMBL21084448 0.80 MEN1 (0.40) BACE1ESR1ESR2LMNAFABP3
SCHEMBL13321972 0.80 TTR (0.40) ESR1ESR2LMNAGAAMAPK1
SCHEMBL14672850 0.79 ESR1 (0.46) BACE1TSHRESR1ESR2MAOA
SCHEMBL20752930 0.79 KMT2A (0.39) BACE1ESR1ESR2ADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9360593-B2 Polycarbonate resin, production method therefor, and optical molded body MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2016-06-07 US disclosed
US-20150285954-A1 POLYCARBONATE RESIN, PRODUCTION METHOD THEREFOR, AND OPTICAL MOLDED BODY MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2015-10-08 US disclosed