SCHEMBL14650593

SCHEMBL14650593

COCCOCC(C)OCC(C)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(c1ccc(F)cc1)C5=O

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.32
▸ APAF1 O14727 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ DGAT2 Q96PD7 1/20 0.31
▸ ADRA1D P25100 1/20 0.30
▸ ADRA1A P35348 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
SCHEMBL14650542 0.90 ALDH1A1 (0.36) POLBKDM4EALDH1A1HPGDTDP1
SCHEMBL14650550 0.89 ALDH1A1 (0.35) POLBKDM4EALDH1A1HPGDTDP1
SCHEMBL14650558 0.89 MCHR1 (0.41) POLBAPAF1KDM4EALDH1A1TDP1
SCHEMBL14650591 0.88 TERT (0.34) TDP1
SCHEMBL14650603 0.88 TERT (0.34) TDP1
SCHEMBL14650566 0.87 ESR1 (0.31) —
SCHEMBL14650554 0.87 CA2 (0.48) —
SCHEMBL14650557 0.87 MCHR1 (0.38) POLB
SCHEMBL14650589 0.87 TERT (0.33) —
SCHEMBL14650605 0.87 TERT (0.33) —

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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