SCHEMBL3721719

SCHEMBL3721719

CCOc1c(Cl)cc(Oc2ccc3cc(CC=O)ccc3c2)cc1OC(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.35
PPARD Q03181 3/20 0.35
RORC P51449 1/20 0.34
HCRTR1 O43613 9/20 0.33
HCRTR2 O43614 9/20 0.33
SCN3A Q9NY46 1/20 0.33
PPARG P37231 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 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 0.87 SMN1; SMN2 (0.35) LMNAHTTSMN1; SMN2TDP1
SCHEMBL3726782 0.86 HCRTR1 (0.35) PPARAPPARDHCRTR1HCRTR2SCN3A
SCHEMBL3717663 0.85 GLA (0.40) RORCHCRTR1HCRTR2SMN1; SMN2
SCHEMBL3724221 0.85 S1PR1 (0.35) HCRTR1HCRTR2
SCHEMBL3719224 0.82 TRPV1 (0.46) LMNASMN1; SMN2
SCHEMBL3721086 0.81 HTT (0.39) PPARAPPARDLMNAHTTMRGPRX4
SCHEMBL3717662 0.79 AKR1C3 (0.36) RORCSCN3ALMNAHTTSMN1; SMN2
SCHEMBL3720060 0.77 FFAR1 (0.34) PPARAPPARDPPARGLMNAHTT
SCHEMBL3726994 0.76 ACACB (0.42) SMN1; SMN2
SCHEMBL3719222 0.76 ACACB (0.47)

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