SCHEMBL9620652

SCHEMBL9620652

CCCCc1ccc([C@H]2CC[C@H](CCc3ccc(C#N)cc3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
SPHK2 Q9NRA0 7/20 0.44
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL9620655 1.00 SPHK1 (0.50) SPHK1TSHRHSD17B10MAOAMAOB
SCHEMBL10609882 0.97 SPHK1 (0.48) SPHK1TSHRHSD17B10MAOAMAOB
SCHEMBL10832803 0.96 TSHR (0.56) SPHK1TSHRHSD17B10MAOAMAOB
SCHEMBL9621053 0.96 TSHR (0.56) SPHK1TSHRHSD17B10MAOAMAOB
SCHEMBL10832806 0.96 TSHR (0.56) SPHK1TSHRHSD17B10MAOAMAOB
SCHEMBL9621056 0.96 TSHR (0.56) SPHK1TSHRHSD17B10MAOAMAOB
SCHEMBL9621148 0.95 TSHR (0.58) SPHK1TSHRHSD17B10MAOAMAOB
SCHEMBL9621144 0.95 TSHR (0.58) SPHK1TSHRHSD17B10MAOAMAOB
SCHEMBL10725313 0.94 SPHK1 (0.49) SPHK1TSHRHSD17B10MAOAMAOB
SCHEMBL10725323 0.94 SPHK1 (0.49) SPHK1TSHRHSD17B10MAOAMAOB

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
EP-0283490-B1 PROCESS FOR THE PRODUCTION OF ETHANE DERIVATIVES MERCK PATENT GmbH (DE) 1992-01-08 EP disclosed