SCHEMBL7950109

SCHEMBL7950109

COCCCOc1cc(CO)ccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.43
KIF11 P52732 1/20 0.41
S1PR1 P21453 5/20 0.40
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
PTGES O14684 1/20 0.36
REN P00797 1/20 0.35
HTT P42858 3/20 0.35
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
POLB P06746 2/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL3239988 0.85 PPARG (0.36) ARS1PR1PPARGPPARDPPARA
SCHEMBL8266091 0.85 CSNK2A1 (0.40) ARS1PR1PPARGPPARDPPARA
SCHEMBL25369859 0.84 KIF11 (0.49) ARKIF11S1PR1CYP4F2CYP4A11
SCHEMBL30694777 0.84 KIF11 (0.49) ARKIF11S1PR1CYP4F2CYP4A11
SCHEMBL5371918 0.81 AR (0.54) ARKIF11S1PR1PPARGPPARD
SCHEMBL88794 0.80 L3MBTL1 (0.45) ARPPARGPPARAHTTKDM4E
SCHEMBL3071677 0.80 CYP4F2 (0.54) CYP4F2CYP4A11RENKDM4EKMT2A
SCHEMBL89647 0.79 S1PR4 (0.41) ARHTTKDM4EKMT2APOLB
SCHEMBL8237989 0.79 HTT (0.39) ARS1PR1HTTKDM4EKMT2A
SCHEMBL7952850 0.78 CYP3A4 (0.44) ARLMNAMAPK1

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
WO-2010024772-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-03-04 WO disclosed