SCHEMBL9854857

SCHEMBL9854857

CCCCCCOc1ccc(C#Cc2ccc(Cl)nn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.45
ACACB O00763 1/20 0.43
HPGD P15428 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MCHR1 Q99705 1/20 0.43
TP53 P04637 3/20 0.41
TSHR P16473 1/20 0.41
LTA4H P09960 3/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
HSD17B10 Q99714 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PLA2G4B P0C869 1/20 0.40
RARB P10826 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 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
SCHEMBL9855341 0.99 ACACB (0.44) NR5A1ACACBHPGDKDM4EALDH1A1
SCHEMBL9855048 0.96 ACACB (0.46) NR5A1ACACBKDM4EALDH1A1MCHR1
SCHEMBL9855145 0.90 MCHR1 (0.46) ACACBMCHR1
SCHEMBL9854953 0.90 NR5A1 (0.50) NR5A1ACACBHPGDKDM4EALDH1A1
SCHEMBL10515249 0.90 MCHR1 (0.42) NR5A1ACACBHPGDKDM4EALDH1A1
SCHEMBL9855368 0.87 ACACB (0.51) NR5A1ACACBKDM4EALDH1A1MCHR1
SCHEMBL9855567 0.84 ACACB (0.44) ACACBMCHR1NPC1
SCHEMBL9855410 0.82 HSD17B10 (0.46) ACACBKDM4EALDH1A1MCHR1TP53
SCHEMBL9855564 0.82 HPGD (0.47) NR5A1HPGDKDM4EALDH1A1HTT
SCHEMBL9497781 0.81 MCHR1 (0.51) NR5A1ACACBHPGDKDM4EALDH1A1

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