SCHEMBL14650527

SCHEMBL14650527

COCCOCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(CCc1ccccc1)C5=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1B1 Q16678 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CASP3 P42574 1/20 0.38
▸ TERT O14746 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.34
▸ STAT3 P40763 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PARK7 Q99497 2/20 0.33
▸ CA9 Q16790 1/20 0.33

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
SCHEMBL14650514 0.95 CYP1B1 (0.43) CYP1B1RAB9AALDH1A1MAPTPOLB
SCHEMBL14650518 0.91 TERT (0.34) CYP1B1RAB9AALDH1A1MAPTPOLB
SCHEMBL14650523 0.91 GSK3A (0.37) RAB9AALDH1A1KDM4ETERTSTAT3
SCHEMBL14650533 0.91 TERT (0.34) CYP1B1RAB9AALDH1A1MAPTPOLB
SCHEMBL14650522 0.91 MEN1 (0.38) CYP1B1ALDH1A1MAPTMEN1KMT2A
SCHEMBL14650534 0.88 LMNA (0.44) RAB9AALDH1A1MAPTKMT2AGAA
SCHEMBL14650509 0.88 STAT3 (0.42) RAB9AALDH1A1POLBMEN1NPC1
SCHEMBL14650517 0.88 STAT3 (0.42) RAB9AALDH1A1POLBMEN1NPC1
SCHEMBL14650591 0.87 TERT (0.34) TERTTDP1STAT3HIF1A
SCHEMBL14650603 0.87 TERT (0.34) TERTTDP1STAT3HIF1A

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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