SCHEMBL7299171

SCHEMBL7299171

CC(C)(C)OC(=O)C[C@]1(O)CC[C@H](N2CCC(c3ccc(C(N)=S)cc3)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.37
KCNH2 Q12809 4/20 0.37
LCK P06239 2/20 0.37
JAK3 P52333 2/20 0.37
BTK Q06187 2/20 0.37
TACR1 P25103 8/20 0.37
HRH3 Q9Y5N1 2/20 0.35
CYP2C9 P11712 1/20 0.34
ESRRB O95718 1/20 0.33
ESR1 P03372 1/20 0.33
ESRRG P62508 1/20 0.33
NAMPT P43490 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL7299165 1.00 CCR2 (0.37) CCR2KCNH2LCKJAK3BTK
SCHEMBL7304309 0.90 ITGB3 (0.37) CCR2KCNH2LCKJAK3BTK
SCHEMBL7304305 0.90 ITGB3 (0.37) CCR2KCNH2LCKJAK3BTK
SCHEMBL7297485 0.86 MEN1 (0.45) HRH3CYP2C9KDM4EALDH1A1
SCHEMBL7306203 0.83 AR (0.39) CCR2KCNH2JAK3TACR1HRH3
SCHEMBL7306198 0.83 AR (0.39) CCR2KCNH2JAK3TACR1HRH3
SCHEMBL7345047 0.83 ITGB3 (0.39) KCNH2LCKJAK3BTKCYP2C9
SCHEMBL7293154 0.81 ALDH1A1 (0.34) HRH3KDM4EALDH1A1
SCHEMBL7297503 0.78 L3MBTL1 (0.36) KDM4EALDH1A1
SCHEMBL7296131 0.75 AOC3 (0.38) HRH3

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