SCHEMBL14650632

SCHEMBL14650632

CC(COCC(C)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(c1ccc(F)cc1F)C5=O)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(c1ccc(F)cc1F)C5=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ TRPA1 O75762 1/20 0.33
▸ BRD4 O60885 1/20 0.32
▸ TERT O14746 3/20 0.32
▸ PARK7 Q99497 1/20 0.32
▸ KMT2A Q03164 5/20 0.32
▸ MEN1 O00255 4/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ STAT3 P40763 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ GAA P10253 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ CASP3 P42574 1/20 0.30
▸ SENP7 Q9BQF6 1/20 0.30
▸ USP2 O75604 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
SCHEMBL14650697 0.90 ESR1 (0.32) ESR1ESR2BRD4PARK7KMT2A
SCHEMBL14650566 0.86 ESR1 (0.31) ESR1ESR2
SCHEMBL14268812 0.83 ESR1 (0.50) ESR1ESR2BRD4TERTPARK7
SCHEMBL14650621 0.76 POLB (0.50) KMT2AMEN1ALDH1A1TDP1GAA
SCHEMBL14650659 0.76 STAT3 (0.44) ESR1ESR2BRD4TERTKMT2A
SCHEMBL14650634 0.76 TDP1 (0.43) ESR1TERTKMT2AMEN1ALDH1A1
SCHEMBL14650602 0.76 TERT (0.42) TERTKMT2AMEN1ALDH1A1STAT3
SCHEMBL14650721 0.74 KMT2A (0.34) TERTKMT2AMEN1ALDH1A1TDP1
SCHEMBL14650703 0.74 TDP1 (0.41) ESR1TERTKMT2AMEN1ALDH1A1
SCHEMBL17692575 0.73 TERT (0.40) TERTKMT2AMEN1ALDH1A1STAT3

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-9051468-B2 Dyes for polymer coloration, their preparation and their use CLARIANT INTERNATIONAL LTD (CH) 2015-06-09 — — US disclosed
US-20130019415-A1 DYES FOR POLYMER COLORATION, THEIR PREPARATION AND THEIR USE DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2013-01-24 — — US disclosed
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