SCHEMBL14765474

SCHEMBL14765474

COc1cccc(-c2csc(COc3ccc(OC)c(C)c3)n2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 7/20 0.62
▸ PPARA Q07869 2/20 0.62
▸ L3MBTL1 Q9Y468 3/20 0.55
▸ POLB P06746 1/20 0.55
▸ CYP19A1 P11511 1/20 0.50
▸ DRD4 P21917 2/20 0.49
▸ DRD2 P14416 1/20 0.48
▸ MAPT P10636 3/20 0.48
▸ SREBF2 Q12772 1/20 0.46
▸ NPC1 O15118 4/20 0.46
▸ RAB9A P51151 4/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ ATP4A P20648 1/20 0.46
▸ ATP4B P51164 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL14765479 0.90 PPARD (0.72) PPARDPPARAL3MBTL1POLBMAPT
SCHEMBL14765468 0.89 PPARD (0.57) PPARDPPARAL3MBTL1POLBMAPT
SCHEMBL13484538 0.88 PPARD (0.82) PPARDPPARA
SCHEMBL14765473 0.82 PPARD (0.56) PPARDPPARAL3MBTL1POLBMAPT
SCHEMBL14765472 0.82 PPARD (0.56) PPARDPPARAL3MBTL1POLBCYP19A1
SCHEMBL13484529 0.78 PPARD (0.67) PPARDPPARAL3MBTL1POLB
SCHEMBL3194317 0.77 PPARD (0.82) PPARDPPARA
SCHEMBL28679894 0.77 PPARD (0.52) PPARDPPARAL3MBTL1POLBCYP19A1
SCHEMBL23657731 0.77 L3MBTL1 (0.72) PPARDPPARAL3MBTL1POLBCYP19A1
SCHEMBL10272063 0.77 CYP19A1 (0.59) CYP19A1DRD4DRD2MAPTSREBF2

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-8394841-B2 Compounds and methods for modulating G protein-coupled receptors IRM LLC (BM) 2013-03-12 — — US disclosed
Send feedback