SCHEMBL2836573

SCHEMBL2836573

CCCCCC(C)(C)c1cc(-c2cc(C(C)(C)CCCCC)c(OCCCCC3CO3)c(C(C)(C)CCCCC)c2)cc(C(C)(C)CCCCC)c1OCCCCC1CO1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 1/20 0.36
CNR2 P34972 14/20 0.34
CNR1 P21554 13/20 0.33
EPHX1 P07099 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL2831173 0.96 ALDH1A1 (0.41) ALDH1A1TDP1CNR2CNR1TRPV1
SCHEMBL2833560 0.94 ALDH1A1 (0.38) ALDH1A1TDP1CNR2CNR1SMN1; SMN2
SCHEMBL2832778 0.90 ALDH1A1 (0.42) ALDH1A1TDP1CNR2CNR1EPHX1
SCHEMBL2829265 0.90 ALDH1A1 (0.42) ALDH1A1TDP1CNR2CNR1EPHX1
SCHEMBL2832716 0.90 ALDH1A1 (0.42) ALDH1A1TDP1CNR2CNR1TRPV1
SCHEMBL2833373 0.87 ALDH1A1 (0.40) ALDH1A1TDP1CNR2CNR1SMN1; SMN2
SCHEMBL2832486 0.87 ALDH1A1 (0.38) ALDH1A1TDP1SMN1; SMN2
SCHEMBL2829813 0.86 ALDH1A1 (0.40) ALDH1A1TDP1CNR2CNR1TRPV1
SCHEMBL2833403 0.86 ALDH1A1 (0.40) ALDH1A1TDP1CNR2CNR1TRPV1
SCHEMBL2829828 0.86 ALDH1A1 (0.40) ALDH1A1TDP1CNR2CNR1TRPV1

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