SCHEMBL9779181

SCHEMBL9779181

C=Cc1ccccc1C(CN)(CCCCCCCC)CCCCCCCC

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.31
CNR2 P34972 2/20 0.31
HTR2A P28223 2/20 0.31
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CSNK1E P49674 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
SCHEMBL9779362 1.00 CNR1 (0.31) CNR1CNR2HTR2ATHRATHRB
SCHEMBL9779039 1.00 CNR1 (0.31) CNR1CNR2HTR2ATHRATHRB
SCHEMBL9779177 0.94 ALDH1A1 (0.32) ALDH1A1
SCHEMBL9779127 0.88 ALDH1A1 (0.33) ALDH1A1
SCHEMBL9779436 0.82 TNNC1 (0.33) CNR1CNR2THRATHRBALDH1A1
SCHEMBL9779129 0.82 TNNC1 (0.33) CNR1CNR2THRATHRBALDH1A1
SCHEMBL9779273 0.82 TNNC1 (0.33) CNR1CNR2THRATHRBALDH1A1
SCHEMBL9779312 0.82 TNNC1 (0.33) CNR1CNR2THRATHRBALDH1A1
SCHEMBL3473008 0.81 ALDH1A1 (0.35) ALDH1A1
SCHEMBL6853084 0.78 CNR2 (0.42) CNR1CNR2ALDH1A1

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-5015551-A Resin particles dispersed in a dielectric nonaqueous solvent for making printing plates or sheets FUJI PHOTO FILM CO., LTD. (JP) 1991-05-14 US disclosed