SCHEMBL20202511

SCHEMBL20202511

COc1ccc(C2(c3ccc(OC(=O)c4ccc(-c5ccc(C(=O)Oc6ccc(C7(c8ccc(OC(=O)c9ccc(Oc%10ccc(C(C)=O)cc%10)cc9)c(C)c8)CC(C)CC(C)(C)C7)cc6C)cc5)cc4)c(C)c3)CC(C)CC(C)(C)C2)cc1C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 3/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
KMT2A Q03164 6/20 0.36
MAPT P10636 5/20 0.36
GAA P10253 2/20 0.36
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
AVPR2 P30518 2/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
FSHR P23945 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
SCHEMBL20202506 0.94 KMT2A (0.38) AVPR1AESR1ESR2KMT2AMAPT
SCHEMBL20202503 0.94 ESR1 (0.36) AVPR1AESR1ESR2KMT2AMAPT
SCHEMBL16979782 0.86 MAPT (0.40) ESR1ESR2KMT2AMAPTGAA
SCHEMBL19863503 0.84 KMT2A (0.41) ESR1ESR2KMT2AMAPTGAA
SCHEMBL19863499 0.83 PPARA (0.42) ESR1ESR2KMT2AMAPTGAA
SCHEMBL20202508 0.81 ESR1 (0.46) ESR1ESR2KMT2AMAPTCYP1A2
SCHEMBL12445350 0.80 PPARA (0.44) ESR1ESR2KMT2AMAPTGAA
SCHEMBL19870995 0.80 PPARA (0.44) ESR1ESR2KMT2AMAPTGAA
SCHEMBL19863498 0.80 PPARA (0.44) ESR1ESR2KMT2AMAPTGAA
SCHEMBL20202509 0.79 ESR1 (0.42) AVPR1AESR1ESR2KMT2AMAPT

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
US-20180148538-A1 POLYARYLATE RESIN AND ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER KYOCERA DOCUMENT SOLUTIONS INC. (JP) 2018-05-31 US disclosed