SCHEMBL3720060

SCHEMBL3720060

CCOc1c(F)cc(Oc2ccc3cc(CC=O)ccc3c2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.34
PPARD Q03181 2/20 0.34
RAB9A P51151 2/20 0.33
TUBB1 Q9H4B7 1/20 0.33
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
AKR1C3 P42330 2/20 0.32
AKR1C2 P52895 2/20 0.32
PTGS1 P23219 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP1A2 P05177 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31

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
SCHEMBL3726761 0.84 SMN1; SMN2 (0.35) FFAR1RAB9ATDP1L3MBTL1GAA
SCHEMBL30594477 0.80 AKR1C3 (0.46) RAB9AAKR1C3AKR1C2PTGS1TDP1
SCHEMBL3722415 0.77 ACACB (0.51) PTGS1MAPTHTTKDM4ELMNA
SCHEMBL3721719 0.77 PPARA (0.35) PPARDPPARGPPARATDP1HTT
SCHEMBL3719442 0.76 ACACB (0.40) MAPK1MAPTLTA4HKDM4E
SCHEMBL3720059 0.76 MAOB (0.43) RAB9AL3MBTL1GAAMAPK1MAOB
SCHEMBL3724221 0.75 S1PR1 (0.35)
SCHEMBL3722774 0.73 RAB9A (0.49) RAB9AAKR1C3AKR1C2TDP1L3MBTL1
SCHEMBL3726994 0.73 ACACB (0.42) FFAR1AKR1C3AKR1C2CYP1A2CA12
SCHEMBL3719408 0.72 LTA4H (0.47) FFAR1RAB9AL3MBTL1MAOBHTT

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-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed