SCHEMBL14650697

SCHEMBL14650697

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

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ BRD4 O60885 1/20 0.31
▸ PARK7 Q99497 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL14650632 0.90 ESR1 (0.37) ESR1ESR2BRD4PARK7KMT2A
SCHEMBL14650721 0.86 KMT2A (0.34) KMT2A
SCHEMBL14650677 0.81 KMT2A (0.38) ESR1KMT2A
SCHEMBL14650694 0.81 POLB (0.43) KMT2A
SCHEMBL14650700 0.79 TERT (0.37) PARK7KMT2A
SCHEMBL14650566 0.79 ESR1 (0.31) ESR1ESR2
SCHEMBL14650728 0.78 NPC1 (0.40) KMT2A
SCHEMBL14650706 0.78 MCHR1 (0.37) KMT2A
SCHEMBL14268812 0.77 ESR1 (0.50) ESR1ESR2BRD4PARK7KMT2A
SCHEMBL14650669 0.76 STAT3 (0.44) KMT2A

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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