SCHEMBL9855045

SCHEMBL9855045

CCCCc1ccc(C#Cc2ccc(CC)nn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.41
HSD17B10 Q99714 2/20 0.38
TSHR P16473 1/20 0.38
PTAFR P25105 1/20 0.36
HSD11B1 P28845 1/20 0.36
CA2 P00918 2/20 0.36
CA1 P00915 1/20 0.36
FFAR1 O14842 3/20 0.35
FFAR4 Q5NUL3 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
GRM5 P41594 1/20 0.35
MCHR1 Q99705 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP14 P50281 1/20 0.34
MMP25 Q9NPA2 1/20 0.34

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
SCHEMBL9854942 0.96 HSD17B10 (0.43) ACACBHSD17B10TSHRHSD11B1CA2
SCHEMBL9855565 0.94 HSD17B10 (0.46) ACACBHSD17B10TSHRHSD11B1FFAR1
SCHEMBL9855061 0.93 ACACB (0.41) ACACBHSD17B10TSHRHSD11B1CA2
SCHEMBL9855353 0.91 ACACB (0.41) ACACBHSD17B10TSHRHSD11B1CA2
SCHEMBL9855101 0.91 ACACB (0.40) ACACBFFAR1GRM5
SCHEMBL9855956 0.91 ACACB (0.45) ACACBHSD17B10TSHRHSD11B1CA2
SCHEMBL9855923 0.90 HSD17B10 (0.43) ACACBHSD17B10TSHRHSD11B1FFAR1
SCHEMBL9855818 0.90 HSD17B10 (0.43) ACACBHSD17B10TSHRHSD11B1FFAR1
SCHEMBL9855595 0.89 HSD17B10 (0.46) ACACBHSD17B10TSHRHSD11B1FFAR1
SCHEMBL9855080 0.89 HSD17B10 (0.46) ACACBHSD17B10TSHRHSD11B1FFAR1

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