SCHEMBL9854976

SCHEMBL9854976

CCCCc1ccc(C#Cc2ccc(C)nn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.41
FFAR1 O14842 6/20 0.40
HSD11B1 P28845 2/20 0.40
HSD17B10 Q99714 2/20 0.39
TSHR P16473 1/20 0.39
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
GRM5 P41594 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MCHR1 Q99705 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP14 P50281 1/20 0.35

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
SCHEMBL9854914 0.95 HSD17B10 (0.44) ACACBFFAR1HSD11B1HSD17B10TSHR
SCHEMBL9855116 0.94 HSD17B10 (0.47) ACACBFFAR1HSD11B1HSD17B10TSHR
SCHEMBL9855956 0.92 ACACB (0.45) ACACBFFAR1HSD11B1HSD17B10TSHR
SCHEMBL9854876 0.91 FFAR1 (0.42) ACACBFFAR1GRM5
SCHEMBL9855313 0.87 HSD17B10 (0.50) ACACBFFAR1HSD11B1HSD17B10TSHR
SCHEMBL9855817 0.86 HSD17B10 (0.53) ACACBFFAR1HSD11B1HSD17B10TSHR
SCHEMBL9855061 0.85 ACACB (0.41) ACACBFFAR1HSD11B1HSD17B10TSHR
SCHEMBL10513511 0.85 HSD17B10 (0.37) ACACBFFAR1HSD11B1HSD17B10TSHR
SCHEMBL10510144 0.85 HSD17B10 (0.37) ACACBFFAR1HSD11B1HSD17B10TSHR
SCHEMBL10512126 0.85 HSD17B10 (0.37) ACACBFFAR1HSD11B1HSD17B10TSHR

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