SCHEMBL7796837

SCHEMBL7796837

O=C(O)c1cccc(-c2cccc3c2Cc2ccccc2-3)c1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.54
HTR7 P34969 1/20 0.52
HTR2B P41595 1/20 0.52
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
GSR P00390 1/20 0.48
SRD5A2 P31213 1/20 0.46
PPARG P37231 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
TRPA1 O75762 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.45
PNMT P11086 1/20 0.44
HNF4A P41235 1/20 0.42
ALDH1A1 P00352 3/20 0.42
ALOX15 P16050 1/20 0.42
FOLH1 Q04609 1/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL21758198 0.90 HSP90AA1 (0.56) HSP90AA1HTR7HTR2BNPC1RAB9A
SCHEMBL67699 0.88 HSP90AA1 (0.67) HSP90AA1HTR7HTR2BNPC1RAB9A
SCHEMBL31229252 0.88 HSP90AA1 (0.67) HSP90AA1HTR7HTR2BNPC1RAB9A
SCHEMBL29638295 0.88 HSP90AA1 (0.67) HSP90AA1HTR7HTR2BNPC1RAB9A
SCHEMBL3720118 0.87 HSP90AA1 (0.50) HSP90AA1HTR7HTR2BNPC1RAB9A
SCHEMBL31158183 0.87 HSP90AA1 (0.50) HSP90AA1HTR7HTR2BNPC1RAB9A
Hydrochloric Acid SCHEMBL6755698 0.86 HSP90AA1 (0.65) HSP90AA1HTR7HTR2BNPC1RAB9A
SCHEMBL28484496 0.85 HSP90AA1 (0.52) HSP90AA1HTR7HTR2BNPC1RAB9A
Fluorene SCHEMBL25278233 0.80 SRD5A2 (0.61) HSP90AA1HTR7HTR2BSRD5A2PPARG
SCHEMBL5321419 0.80 ALDH1A1 (0.59) CYP2C9HNF4AALDH1A1ALOX15FOLH1

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
EP-1117102-A2 Method of manufacturing material for forming insulating film JSR Corporation (JP) 2001-07-18 EP disclosed