SCHEMBL9161973

SCHEMBL9161973

O=C(O)c1ccccc1-c1c(O)ccc2c1Cc1ccccc1-2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.49
CYP2C9 P11712 2/20 0.48
TSHR P16473 1/20 0.48
SRD5A2 P31213 2/20 0.45
PPARG P37231 1/20 0.45
HTR7 P34969 1/20 0.45
HTR2B P41595 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.44
MYC P01106 1/20 0.44
GNG2 P59768 1/20 0.41
GNB1 P62873 1/20 0.41
HNF4A P41235 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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 0.81 HSP90AA1 (0.56) HSP90AA1CYP2C9TSHRSRD5A2PPARG
SCHEMBL2639175 0.80 PNMT (0.45) SRD5A2HTR7HTR2BNPC1RAB9A
SCHEMBL31229252 0.79 HSP90AA1 (0.67) HSP90AA1CYP2C9TSHRSRD5A2PPARG
SCHEMBL67699 0.79 HSP90AA1 (0.67) HSP90AA1CYP2C9TSHRSRD5A2PPARG
SCHEMBL29638295 0.79 HSP90AA1 (0.67) HSP90AA1CYP2C9TSHRSRD5A2PPARG
SCHEMBL529412 0.78 SRD5A2 (0.50) HSP90AA1CYP2C9TSHRSRD5A2PPARG
SCHEMBL28337070 0.78 HSP90AA1 (0.50) HSP90AA1CYP2C9TSHRSRD5A2PPARG
Hydrochloric Acid SCHEMBL6755698 0.78 HSP90AA1 (0.65) HSP90AA1CYP2C9TSHRSRD5A2PPARG
Phthalic Acid SCHEMBL27685937 0.77 HSP90AA1 (0.47) HSP90AA1CYP2C9TSHRSRD5A2PPARG
SCHEMBL813189 0.77 CA12 (0.46) HSP90AA1CYP2C9TSHRSRD5A2HTR7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5405416-A A floatable dye mixtures consisting of a water soluble or disperse dye, a density controller microballoons and a binder; a marker locating a crashed aircraft, life rafts; pretective devices COMMONWEALTH OF AUSTRALIA (AU) 1995-04-11 US disclosed
EP-0459986-A4 MARINE DYE COMPOSITION 1992-04-01 EP disclosed
EP-0459986-A1 MARINE DYE COMPOSITION THE COMMONWEALTH OF AUSTRALIA (AU) 1991-12-11 EP disclosed
WO-1990010044-A1 MARINE DYE COMPOSITION COMMONWEALTH OF AUSTRALIA (AU) 1990-09-07 WO disclosed