SCHEMBL9836138

SCHEMBL9836138

O=C(CCC(Cc1ccccc1)C(=O)OO)OO

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CPA3 P15088 3/20 0.54
CYP1A2 P05177 1/20 0.50
CPA1 P15085 6/20 0.45
FOLH1 Q04609 2/20 0.45
CPB1 P15086 1/20 0.45
CPB2 Q96IY4 1/20 0.45
TDP1 Q9NUW8 1/20 0.42
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
ACE P12821 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 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
SCHEMBL9833908 0.91 FOLH1 (0.49) CPA3CYP1A2CPA1FOLH1CPB1
SCHEMBL7410516 0.78 CPA1 (0.68) CPA3CYP1A2CPA1FOLH1CPB1
SCHEMBL7499932 0.77 CSNK1E (0.51) PPARG
SCHEMBL18560549 0.76 CYP1A2 (0.51) CPA3CYP1A2FOLH1PPARA
SCHEMBL8492781 0.75 CPA3 (0.70) CPA3CYP1A2CPA1FOLH1CPB1
SCHEMBL28300615 0.75 CPA3 (0.48) CPA3CYP1A2PPARGPPARA
SCHEMBL28300614 0.75 CPA3 (0.48) CPA3CYP1A2PPARGPPARA
SCHEMBL1915234 0.74 CPA3 (0.68) CPA3CYP1A2CPA1FOLH1CPB1
SCHEMBL1915616 0.74 CPA3 (0.68) CPA3CYP1A2CPA1FOLH1CPB1
SCHEMBL1915237 0.74 CPA3 (0.68) CPA3CYP1A2CPA1FOLH1CPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0206624-B1 DIPEROXY ACIDS AND BLEACHING THEREWITH THE PROCTER & GAMBLE COMPANY (US) 1991-10-16 EP disclosed
US-4876046-A ANTISEPTICS AND BLEACHES THE PROCTER & GAMBLE COMPANY (US) 1989-10-24 US disclosed