SCHEMBL9855273

SCHEMBL9855273

CCCCc1ccc(C#CC2=CCC(CCC)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.43
DRD4 P21917 3/20 0.43
DRD3 P35462 3/20 0.43
FFAR1 O14842 2/20 0.37
MMP2 P08253 4/20 0.35
MMP9 P14780 4/20 0.35
MMP8 P22894 4/20 0.35
MMP13 P45452 2/20 0.35
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ACACB O00763 2/20 0.34
MMP1 P03956 2/20 0.34
MMP3 P08254 2/20 0.34
MMP14 P50281 2/20 0.34
MMP25 Q9NPA2 2/20 0.34
DDB1 Q16531 2/20 0.33
CRBN Q96SW2 2/20 0.33
LMNA P02545 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
NPC1 O15118 1/20 0.32

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
SCHEMBL9855149 0.96 DRD2 (0.43) DRD2DRD4DRD3FFAR1MMP2
SCHEMBL9854961 0.95 DRD2 (0.43) DRD2DRD4DRD3FFAR1MMP2
SCHEMBL10511907 0.94 DRD2 (0.40) DRD2DRD4DRD3FFAR1MMP2
SCHEMBL9855392 0.94 DRD2 (0.43) DRD2DRD4DRD3FFAR1MMP2
SCHEMBL9854831 0.93 TSHR (0.45) DRD2DRD4DRD3FFAR1MMP2
SCHEMBL9855771 0.93 DRD2 (0.42) DRD2DRD4DRD3FFAR1MMP2
SCHEMBL9855639 0.92 DRD3 (0.45) DRD2DRD4DRD3FFAR1ACACB
SCHEMBL9854923 0.91 DRD2 (0.41) DRD2DRD4DRD3FFAR1TSHR
SCHEMBL9855841 0.91 DRD2 (0.43) DRD2DRD4DRD3FFAR1MMP2
SCHEMBL9854881 0.91 DRD2 (0.43) DRD2DRD4DRD3FFAR1MMP2

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