SCHEMBL7707907

SCHEMBL7707907

CC(=O)[C@H](O)Cc1ccc(F)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM6B O15054 1/20 0.46
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
DPP4 P27487 2/20 0.42
RIPK1 Q13546 1/20 0.41
DPP7 Q9UHL4 1/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
PIN1 Q13526 1/20 0.39
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
PTPN1 P18031 1/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
EGFR P00533 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ALOX15 P16050 1/20 0.38
PTGS1 P23219 1/20 0.38

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
SCHEMBL7706678 1.00 KDM6B (0.46) KDM6BMAOAMAOBDPP4RIPK1
SCHEMBL7230282 0.84 KDM6B (0.61) KDM6BMAOAMAOBDPP4RIPK1
SCHEMBL7711037 0.84 KDM6B (0.61) KDM6BMAOAMAOBDPP4RIPK1
SCHEMBL370923 0.82 DPP4 (0.45) KDM6BMAOAMAOBDPP4RIPK1
SCHEMBL10078140 0.82 DPP4 (0.48) MAOAMAOBDPP4RIPK1DPP7
SCHEMBL14355719 0.82 DPP4 (0.48) MAOAMAOBDPP4RIPK1DPP7
SCHEMBL12104028 0.82 DPP4 (0.48) MAOAMAOBDPP4RIPK1DPP7
SCHEMBL7712951 0.81 MAOA (0.42) KDM6BMAOAMAOBDPP4RIPK1
SCHEMBL7712985 0.81 MAOA (0.42) KDM6BMAOAMAOBDPP4RIPK1
SCHEMBL5807390 0.79 TRPA1 (0.48) KDM6BMAOBTDP1

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-6610730-B2 Viricides; protease inbhibitor AGOURON PHARMACEUTICALS, INC. 2003-08-26 US disclosed