SCHEMBL817090

SCHEMBL817090

C=Cc1cccc(CN2CCCCCC2)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
ALDH1A1 P00352 3/20 0.58
TDP1 Q9NUW8 1/20 0.58
PRMT6 Q96LA8 1/20 0.56
FAAH O00519 1/20 0.55
KDM4E B2RXH2 1/20 0.54
GAA P10253 1/20 0.54
CYP2D6 P10635 2/20 0.53
CYP2C9 P11712 1/20 0.53
HIF1A Q16665 1/20 0.53
HRH3 Q9Y5N1 4/20 0.50
CYP2C19 P33261 1/20 0.50
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47
ACHE P22303 1/20 0.46
HRH4 Q9H3N8 1/20 0.46

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
SCHEMBL609148 1.00 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1TDP1PRMT6FAAH
SCHEMBL610620 0.98 PRMT6 (0.57) SMN1; SMN2ALDH1A1TDP1PRMT6FAAH
SCHEMBL30889265 0.98 PRMT6 (0.57) SMN1; SMN2ALDH1A1TDP1PRMT6FAAH
SCHEMBL19066596 0.91 FAAH (0.63) SMN1; SMN2ALDH1A1TDP1PRMT6FAAH
SCHEMBL611760 0.91 FAAH (0.63) SMN1; SMN2ALDH1A1TDP1PRMT6FAAH
SCHEMBL19066585 0.85 FAAH (0.57) ALDH1A1FAAHKDM4EGAACYP2D6
SCHEMBL23916559 0.84 MC4R (0.57) PRMT6FAAHHRH3
SCHEMBL817044 0.84 HRH3 (0.58) FAAHHRH3
SCHEMBL5673597 0.84 NCF1 (0.60) SMN1; SMN2ALDH1A1FAAHKDM4EHIF1A
SCHEMBL19066609 0.84 SIGMAR1 (0.57) ALDH1A1TDP1PRMT6FAAHCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110275756-A1 CONJUGATED DIENE POLYMER, CONJUGATED DIENE POLYMER COMPOSITION, AND METHOD FOR PRODUCING CONJUGATED DIENE POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-10 US disclosed