SCHEMBL8993127

SCHEMBL8993127

CCC#Cc1cccc(C)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.52
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
FFAR1 O14842 4/20 0.45
ACHE P22303 1/20 0.44
FFAR4 Q5NUL3 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
HAO1 Q9UJM8 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL30469478 0.82 GRM5 (0.69) GRM5HTTSMN1; SMN2FFAR1ACHE
SCHEMBL30469481 0.82 GRM5 (0.69) GRM5HTTSMN1; SMN2FFAR1ACHE
SCHEMBL4562089 0.82 GRM5 (0.69) GRM5HTTSMN1; SMN2FFAR1ACHE
SCHEMBL28469408 0.82 GRM5 (0.50) GRM5HTTSMN1; SMN2FFAR1ACHE
SCHEMBL5536022 0.82 GRM5 (0.50) GRM5HTTSMN1; SMN2FFAR1ACHE
SCHEMBL5174894 0.82 CYP2C19 (0.57) GRM5HTTSMN1; SMN2FFAR1ACHE
SCHEMBL79281 0.82 GRM5 (0.50) GRM5HTTSMN1; SMN2FFAR1ACHE
SCHEMBL11068905 0.80 GRM5 (0.49) GRM5HTTSMN1; SMN2FFAR1ACHE
SCHEMBL30574457 0.79 MEN1 (0.48) GRM5HTTSMN1; SMN2FFAR1ACHE
SCHEMBL28536924 0.79 CYP2A6 (0.53) GRM5HTTSMN1; SMN2FFAR1ACHE

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-5494989-A GAS AND VAPOR SEPARATION BEND RESEARCH, INC. (US) 1996-02-27 US disclosed