SCHEMBL2829265

SCHEMBL2829265

CCCCCC(C)(C)c1cc(Cc2cc(C(C)(C)CCCCC)c(OCCCCC3CO3)c(C(C)(C)CCCCC)c2)cc(C(C)(C)CCCCC)c1OCCCCC1CO1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 1/20 0.35
CNR1 P21554 13/20 0.32
CNR2 P34972 13/20 0.32
TRPV1 Q8NER1 1/20 0.31
EPHX1 P07099 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL2829813 0.96 ALDH1A1 (0.40) ALDH1A1TDP1CNR1CNR2TRPV1
SCHEMBL2833489 0.94 ALDH1A1 (0.36) ALDH1A1TDP1CNR1CNR2TRPV1
SCHEMBL2832778 0.93 ALDH1A1 (0.42) ALDH1A1TDP1CNR1CNR2TRPV1
SCHEMBL2836573 0.90 ALDH1A1 (0.44) ALDH1A1TDP1CNR1CNR2TRPV1
SCHEMBL2829828 0.89 ALDH1A1 (0.40) ALDH1A1TDP1CNR1CNR2TRPV1
SCHEMBL2832716 0.88 ALDH1A1 (0.42) ALDH1A1TDP1CNR1CNR2TRPV1
SCHEMBL2832942 0.88 ALDH1A1 (0.36) ALDH1A1
SCHEMBL2832765 0.87 ALDH1A1 (0.36) ALDH1A1TDP1CNR1CNR2SMN1; SMN2
SCHEMBL2831258 0.86 ALDH1A1 (0.37) ALDH1A1TDP1CNR1CNR2SMN1; SMN2
SCHEMBL2831173 0.86 ALDH1A1 (0.41) ALDH1A1TDP1CNR1CNR2TRPV1

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