SCHEMBL3719670

SCHEMBL3719670

Cc1cc(OCCC2CC2)ccc1Oc1ccc2cc(CC=O)ccc2n1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.37
ALOX5 P09917 2/20 0.36
PTGES O14684 1/20 0.36
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HPGD P15428 5/20 0.34
PPARG P37231 6/20 0.34
PPARD Q03181 2/20 0.33
PPARA Q07869 1/20 0.33
CHEK2 O96017 1/20 0.32
YES1 P07947 1/20 0.32
PDGFRB P09619 1/20 0.32
EPHB4 P54760 1/20 0.32

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
SCHEMBL3724233 0.90 ACACB (0.37) MCHR1ALOX5PTGESPPARGPPARD
SCHEMBL3720757 0.87 PPARG (0.38) MAPTTDP1PPARG
SCHEMBL3717292 0.86 MCHR1 (0.36) MCHR1ALOX5PTGESMAPTHPGD
SCHEMBL3721927 0.86 PARP10 (0.37) MCHR1HPGDPPARGPPARD
SCHEMBL3726793 0.85 ADRB2 (0.40) MAPTTDP1
SCHEMBL3724672 0.84 MAPT (0.39) MAPTTDP1
SCHEMBL3720794 0.83 MTNR1A (0.46) MCHR1
SCHEMBL3726373 0.82 ACACB (0.35) PPARDPPARAPDGFRB
SCHEMBL3724297 0.82 ACACB (0.38) MCHR1MAPTTDP1HPGDPPARG
SCHEMBL3724495 0.80 PDE3B (0.34) PPARGPPARD

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