SCHEMBL2824490

SCHEMBL2824490

CCc1cc(C2=CCC(c3ccc(OCCOCC4CO4)cc3)CC2)ccc1OCCOCC1CO1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.33
CYP3A4 P08684 3/20 0.33
CYP2D6 P10635 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PPARG P37231 1/20 0.31
NPC1 O15118 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 0.30
SENP8 Q96LD8 1/20 0.30
NLRP3 Q96P20 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 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
SCHEMBL2829126 0.93 PPARG (0.37) SMN1; SMN2PPARG
SCHEMBL2827727 0.91 SMN1; SMN2 (0.37) SMN1; SMN2PPARG
SCHEMBL2829324 0.90 MCHR1 (0.33) MCHR1SMN1; SMN2PPARG
SCHEMBL2718089 0.90 ALDH1A1 (0.37) MCHR1CYP3A4CYP2D6SMN1; SMN2PPARG
SCHEMBL29767850 0.90 ALDH1A1 (0.37) MCHR1CYP3A4CYP2D6SMN1; SMN2PPARG
SCHEMBL2720090 0.87 TSHR (0.36) CYP3A4SMN1; SMN2PPARG
SCHEMBL2830304 0.87 KDM4E (0.31) SMN1; SMN2
SCHEMBL2825566 0.86 TP53 (0.35) SMN1; SMN2PPARG
SCHEMBL2828484 0.86 HTT (0.31) SMN1; SMN2
SCHEMBL29767858 0.82 PPARG (0.36) CYP3A4SMN1; SMN2PPARGNPC1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160555-A1 RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-24 US disclosed
US-20100144926-A1 EPOXY RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-10 US disclosed
EP-2133379-A1 EPOXY RESIN COMPOSITION Sumitomo Chemical Company, Limited (JP) 2009-12-16 EP disclosed
EP-2133380-A1 RESIN COMPOSITION Sumitomo Chemical Company, Limited (JP) 2009-12-16 EP disclosed