SCHEMBL16638501

SCHEMBL16638501

CC(C)c1ccc(C#Cc2cccc(C(F)(F)F)c2)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.45
PTGES O14684 2/20 0.41
PTPN1 P18031 2/20 0.41
FFAR1 O14842 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
EPM2A O95278 1/20 0.37
PTPRC P08575 1/20 0.37
PTPN2 P17706 1/20 0.37
PTPRG P23470 1/20 0.37
ACP1 P24666 1/20 0.37
PTPN6 P29350 1/20 0.37
PTPN7 P35236 1/20 0.37
PTPN9 P43378 1/20 0.37
DUSP3 P51452 1/20 0.37
PTPN11 Q06124 1/20 0.37
PTPN13 Q12923 1/20 0.37
DUSP22 Q9NRW4 1/20 0.37

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
SCHEMBL9967692 0.82 KIF11 (0.36) GRM5PTGESPTPN1PTGDR2PTPN6
SCHEMBL9967710 0.79 GRM5 (0.46) GRM5PTGESFFAR1
SCHEMBL256068 0.79 GRM5 (0.44) GRM5PTGESPTPN1FFAR1PTGDR2
SCHEMBL30873473 0.78 GRM5 (0.58) GRM5PTGESPTPN1FFAR1PTGDR2
SCHEMBL27821982 0.72 PTPN1 (0.60) GRM5PTGESPTPN1FFAR1PTGDR2
SCHEMBL8006286 0.71 GRM5 (0.53) GRM5PTGESPTPN1FFAR1PTGDR2
SCHEMBL8197656 0.71 GRM5 (0.47) GRM5PTGESPTPN1FFAR1PTGDR2
SCHEMBL1477351 0.70 GRM5 (0.52) GRM5PTGESPTPN1FFAR1
SCHEMBL18539930 0.70 CYP1A2 (0.58)
SCHEMBL9967728 0.68 GRM5 (0.40) GRM5FFAR1

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-9006265-B2 Substituted fused pyrimidinones and dihydropyrimidinones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-14 US disclosed