SCHEMBL9562875

SCHEMBL9562875

Cc1cccc(C#Cc2ccc(C(C)(C)C)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.51
FFAR1 O14842 4/20 0.49
RARB P10826 1/20 0.47
RARG P13631 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
TSHR P16473 1/20 0.45
FFAR4 Q5NUL3 1/20 0.41
KCNK3 O14649 1/20 0.41
KIF11 P52732 1/20 0.40
ACHE P22303 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
SCHEMBL4178442 0.88 RARB (0.53) GRM5RARBRARGCA12CA1
SCHEMBL30469481 0.82 GRM5 (0.69) GRM5FFAR1CA12CA1CA2
SCHEMBL4562089 0.82 GRM5 (0.69) GRM5FFAR1CA12CA1CA2
SCHEMBL30469478 0.82 GRM5 (0.69) GRM5FFAR1CA12CA1CA2
SCHEMBL12632231 0.80 CA12 (0.53) GRM5RARBRARGCA12CA1
SCHEMBL4946180 0.80 GRM5 (0.62) GRM5FFAR1CA12CA1CA2
SCHEMBL1086002 0.80 RARB (0.62) GRM5FFAR1RARBRARGCA12
SCHEMBL25413986 0.79 RARB (0.65) RARBRARGTSHRKIF11ACHE
SCHEMBL14168854 0.77 GRM5 (0.55) GRM5FFAR1CA12CA1CA2
SCHEMBL12632166 0.75 CA12 (0.51) RARBRARGCA12CA1CA2

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
JP-5271338-A None JP disclosed
JP-H05271338-A DISUBSTITUTED DIPHENYLACETYLENE POLYMER NIPPON ZEON CO LTD 1993-10-19 JP disclosed