SCHEMBL9855813

SCHEMBL9855813

CCCOc1ccc(C#Cc2ccc(CC)nn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 15/20 0.44
MCHR1 Q99705 2/20 0.41
ACACA Q13085 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
LTA4H P09960 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL9854938 0.94 ACACB (0.46) ACACBMCHR1CHRNB2CHRNB4CHRNA3
SCHEMBL9855378 0.91 ACACB (0.49) ACACBMCHR1CHRNB2CHRNB4CHRNA3
SCHEMBL9855520 0.90 ACACB (0.44) ACACBMCHR1CHRNB2CHRNB4CHRNA3
SCHEMBL9855211 0.88 ACACB (0.44) ACACB
SCHEMBL9855408 0.87 ACACB (0.43) ACACBMCHR1
SCHEMBL9855194 0.86 ACACB (0.43) ACACBMCHR1KDM4EALDH1A1HPGD
SCHEMBL9855137 0.85 ACACB (0.42) ACACBMCHR1KDM4EALDH1A1HPGD
SCHEMBL9855162 0.85 ACACB (0.42) ACACBMCHR1KDM4EALDH1A1HPGD
SCHEMBL9855464 0.85 ACACB (0.42) ACACBMCHR1KDM4EALDH1A1HPGD
SCHEMBL9855728 0.85 APP (0.46) ACACBMCHR1

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-5068053-A Liquid crystals for optical apparatus MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-11-26 US disclosed