SCHEMBL9323596

SCHEMBL9323596

Oc1ccc(-c2ccc(O)cc2)cc1.c1ccc(COCc2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.68
MMP3 P08254 1/20 0.61
BCL2L1 Q07817 1/20 0.61
LMNA P02545 3/20 0.57
CYP1A2 P05177 1/20 0.57
PTGS1 P23219 1/20 0.57
SLC6A2 P23975 1/20 0.57
CYP2C19 P33261 1/20 0.57
PTGS2 P35354 1/20 0.57
SLC6A3 Q01959 1/20 0.57
HIF1A Q16665 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
ESR1 P03372 2/20 0.50
ESR2 Q92731 1/20 0.50
IDO1 P14902 3/20 0.48
AGXT P21549 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47

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
Hydroquinone SCHEMBL51561 0.93 TSHR (0.79) TSHRMMP3BCL2L1LMNACYP1A2
Biphenyl SCHEMBL11503485 0.91 TSHR (0.61) TSHRMMP3BCL2L1LMNACYP1A2
Hydroquinone SCHEMBL7511716 0.91 TSHR (0.75) TSHRMMP3BCL2L1LMNACYP1A2
SCHEMBL1840533 0.91 TSHR (0.75) TSHRLMNACYP1A2PTGS1SLC6A2
Phenol SCHEMBL21518644 0.88 TSHR (0.79) TSHRLMNACYP1A2PTGS1SLC6A2
Phenol SCHEMBL5486172 0.88 TSHR (0.79) TSHRLMNACYP1A2PTGS1SLC6A2
SCHEMBL10601291 0.86 TSHR (0.75) TSHRMMP3BCL2L1LMNAPTGS1
Biphenyl SCHEMBL1702724 0.85 TSHR (0.83) TSHRIDO1AGXTCA1CA2
Hydrogen Peroxide SCHEMBL28758135 0.85 TSHR (0.94) TSHRLMNACYP1A2PTGS1SLC6A2
SCHEMBL2781355 0.83 TSHR (0.70) TSHRMMP3BCL2L1LMNAPTGS1

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-5360575-A Electrooptical apparatus and compositions INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 1994-11-01 US disclosed