SCHEMBL7306198

SCHEMBL7306198

CC(C)(C)OC(=O)CC1(O)CCC(N2CCC(c3ccc(C#N)cc3)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.39
GPR119 Q8TDV5 2/20 0.39
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
PTK2 Q05397 1/20 0.39
HRH3 Q9Y5N1 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
CCR2 P41597 1/20 0.38
KCNH2 Q12809 1/20 0.38
TACR1 P25103 3/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
HSD11B1 P28845 1/20 0.37
KDR P35968 1/20 0.36
ALK Q9UM73 1/20 0.36
USP30 Q70CQ3 3/20 0.36
FASN P49327 2/20 0.36

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
SCHEMBL7306203 1.00 AR (0.39) ARGPR119JAK2JAK3PTK2
SCHEMBL7297025 0.86 KMT2A (0.41) ARGPR119IRAK4
SCHEMBL7304305 0.83 ITGB3 (0.37) JAK3HRH3CCR2KCNH2TACR1
SCHEMBL7304309 0.83 ITGB3 (0.37) JAK3HRH3CCR2KCNH2TACR1
SCHEMBL7299171 0.83 CCR2 (0.37) JAK3HRH3CCR2KCNH2TACR1
SCHEMBL7299165 0.83 CCR2 (0.37) JAK3HRH3CCR2KCNH2TACR1
SCHEMBL7337695 0.82 AR (0.44) ARGPR119JAK2JAK3PTK2
SCHEMBL7305692 0.80 ALK (0.40) ARGPR119HRH3IRAK4KDR
SCHEMBL7298324 0.77 ALK (0.45) IRAK4KDRALK
SCHEMBL7300028 0.76 CYP2C19 (0.33) HRH3KCNH2

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
EP-0537980-A1 Cyclohexaneacetic acid derivatives as inhibitors of fibrinogen-dependent blood platelet aggregation GLAXO GROUP LIMITED (GB) 1993-04-21 EP disclosed