SCHEMBL14650630

SCHEMBL14650630

CC(COCC(C)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(CCc1ccccc1)C5=O)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(CCc1ccccc1)C5=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1B1 Q16678 3/20 0.49
▸ ALDH1A1 P00352 4/20 0.49
▸ MAPT P10636 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ GAA P10253 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ POLB P06746 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ TAAR1 Q96RJ0 1/20 0.48
▸ CASP3 P42574 1/20 0.48
▸ TDP1 Q9NUW8 2/20 0.46
▸ TERT O14746 4/20 0.44
▸ STAT3 P40763 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ APAF1 O14727 1/20 0.39
▸ CASP1 P29466 1/20 0.39

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
SCHEMBL14650611 0.92 CYP1B1 (0.52) CYP1B1ALDH1A1MAPTRAB9AGAA
SCHEMBL14650604 0.89 TERT (0.42) CYP1B1ALDH1A1MAPTRAB9AGAA
SCHEMBL14650602 0.89 TERT (0.42) CYP1B1ALDH1A1MAPTRAB9AGAA
SCHEMBL14650641 0.88 TDP1 (0.48) CYP1B1ALDH1A1MAPTKDM4EKMT2A
SCHEMBL14650599 0.88 GSK3A (0.45) ALDH1A1MAPTKDM4ESMN1; SMN2CASP3
SCHEMBL14650527 0.84 CYP1B1 (0.40) CYP1B1ALDH1A1MAPTRAB9AGAA
SCHEMBL14650685 0.84 CYP1B1 (0.46) CYP1B1ALDH1A1MAPTRAB9AGAA
SCHEMBL14650596 0.84 LMNA (0.52) ALDH1A1MAPTRAB9ASMN1; SMN2POLB
SCHEMBL29361586 0.83 ALDH1A1 (0.67) CYP1B1ALDH1A1MAPTRAB9AGAA
SCHEMBL1630714 0.83 ALDH1A1 (0.67) CYP1B1ALDH1A1MAPTRAB9AGAA

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 3 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-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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