SCHEMBL9496913

SCHEMBL9496913

CCCCc1ccc(C#Cc2ncc(OCC)cn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ACACB O00763 15/20 0.46
MCHR1 Q99705 1/20 0.39
NAAA Q02083 1/20 0.39
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL9498375 0.96 MAPT (0.52) MAPTRAB9AL3MBTL1ACACBNAAA
SCHEMBL9497236 0.94 MAPT (0.51) MAPTRAB9AL3MBTL1ACACBNAAA
SCHEMBL9494729 0.91 MCHR1 (0.47) MAPTRAB9AL3MBTL1ACACBMCHR1
SCHEMBL9499469 0.91 ACACB (0.48) MAPTRAB9AL3MBTL1ACACBMCHR1
SCHEMBL9500445 0.90 ACACB (0.49) MAPTL3MBTL1ACACBMCHR1NAAA
SCHEMBL9496724 0.90 NAAA (0.47) MAPTRAB9AL3MBTL1ACACBMCHR1
SCHEMBL9495197 0.89 NAAA (0.49) L3MBTL1ACACBMCHR1NAAALMNA
SCHEMBL9496460 0.89 NAAA (0.49) L3MBTL1ACACBMCHR1NAAALMNA
SCHEMBL9496490 0.89 NAAA (0.49) L3MBTL1ACACBMCHR1NAAALMNA
SCHEMBL9497117 0.89 MCHR1 (0.47) MAPTRAB9AL3MBTL1ACACBMCHR1

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
EP-0306505-B1 ACETYLENE DERIVATIVES AS COMPONENTS OF LIQUID CRYSTAL PHASES MERCK PATENT GmbH (DE) 1993-03-24 EP disclosed
US-5068053-A Liquid crystals for optical apparatus MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-11-26 US disclosed