SCHEMBL3343020

SCHEMBL3343020

[CH2]CCOCCCOCC(CC)CCCC

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.64
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
MMP14 P50281 1/20 0.49
ALDH1A1 P00352 7/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 4/20 0.42
TDP1 Q9NUW8 2/20 0.41
ATM Q13315 1/20 0.41
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
CA2 P00918 2/20 0.36
RECQL P46063 1/20 0.35
PLA2G2C Q5R387 1/20 0.34
LMNA P02545 2/20 0.33
USP2 O75604 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTT P42858 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
SCHEMBL436390 0.94 CYP3A4 (0.65) CYP3A4MMP9MMP8MMP14ALDH1A1
SCHEMBL3412198 0.89 CYP3A4 (0.68) CYP3A4MMP9MMP8MMP14ALDH1A1
SCHEMBL9012207 0.87 CYP3A4 (0.56) CYP3A4MMP9MMP8MMP14ALDH1A1
SCHEMBL6937187 0.87 CYP3A4 (0.66) CYP3A4MMP9MMP8MMP14ALDH1A1
SCHEMBL6939839 0.86 CYP3A4 (0.64) CYP3A4MMP9MMP8MMP14ALDH1A1
SCHEMBL8457151 0.86 CYP3A4 (0.64) CYP3A4MMP9MMP8MMP14ALDH1A1
SCHEMBL5826164 0.86 CYP3A4 (0.64) CYP3A4MMP9MMP8MMP14ALDH1A1
SCHEMBL9011640 0.85 CYP3A4 (0.72) CYP3A4MMP9MMP8MMP14ALDH1A1
SCHEMBL9011644 0.85 CYP3A4 (0.72) CYP3A4MMP9MMP8MMP14ALDH1A1
Ethylene SCHEMBL15254964 0.85 CYP3A4 (0.67) CYP3A4MMP9MMP8MMP14ALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160507-A1 Compacted Flame-Retardant Composition CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2010-06-24 US disclosed
US-20060208239-A1 Compacted flame-retardant composition CLARIANT GMBH 2006-09-21 US disclosed
EP-1396522-A1 Granular fire retardant composition Clariant GmbH (DE) 2004-03-10 EP disclosed
US-4523958-A MILLING COPPER PHTHALOCYANINE AND IRON HEXACYANOFERRATE PIGMENTS BASF AKTIENGESELLSCHAFT (DE) 1985-06-18 US disclosed
EP-0090285-B1 PIGMENT PREPARATIONS AND THEIR USE IN PIGMENTING HELIOGRAPHIC AND LAC COLOURS BASF Aktiengesellschaft (DE) 1985-01-16 EP disclosed
US-4490176-A PRINTING INKS, PAINTS; PIGMENT, ALKYLBENZENE SULFONIC ACID, HYDROXYNAPHTHALENE BASF AKTIENGESELLSCHAFT (DE) 1984-12-25 US disclosed
EP-0076995-B1 LIQUID STABLE PREPARATIONS AND THEIR USE BASF Aktiengesellschaft (DE) 1984-07-11 EP disclosed
EP-0090285-A2 Pigment preparations and their use in pigmenting heliographic and lac colours BASF Aktiengesellschaft (DE) 1983-10-05 EP disclosed
EP-0076995-A1 Liquid stable preparations and their use BASF Aktiengesellschaft (DE) 1983-04-20 EP disclosed
US-4350534-A Fluid, stable formulations of copper phthalocyanine or indanthrone BASF AKTIENGESELLSCHAFT (DE) 1982-09-21 US disclosed