SCHEMBL9833908

SCHEMBL9833908

O=C(CCCC(Cc1ccccc1)C(=O)OO)OO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.49
CPA3 P15088 3/20 0.47
CYP1A2 P05177 1/20 0.47
CPA1 P15085 2/20 0.42
CPB1 P15086 1/20 0.42
CPB2 Q96IY4 1/20 0.42
HDAC3 O15379 5/20 0.41
HDAC1 Q13547 5/20 0.41
HDAC8 Q9BY41 5/20 0.41
HDAC6 Q9UBN7 5/20 0.41
TDP1 Q9NUW8 1/20 0.40
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
HDAC2 Q92769 4/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39

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
SCHEMBL9836138 0.91 CPA3 (0.54) FOLH1CPA3CYP1A2CPA1CPB1
SCHEMBL7499932 0.81 CSNK1E (0.51)
SCHEMBL16620806 0.78 FOLH1 (0.59) FOLH1CPA3CYP1A2CPA1CPB1
SCHEMBL7410516 0.76 CPA1 (0.68) FOLH1CPA3CYP1A2CPA1CPB1
SCHEMBL27282303 0.75 FOLH1 (0.43) FOLH1CPA3CYP1A2TDP1
SCHEMBL9835243 0.75 KMT2A (0.38) CYP1A2HDAC1TDP1HDAC7KDM4E
SCHEMBL10872680 0.75 KMT2A (0.38) CYP1A2HDAC1TDP1HDAC7KDM4E
SCHEMBL7364196 0.73 HDAC1 (0.64) HDAC3HDAC1HDAC8HDAC6TDP1
SCHEMBL3174797 0.72 CPA3 (0.80) FOLH1CPA3CYP1A2CPA1CPB1
SCHEMBL12494537 0.72 CPA3 (0.80) FOLH1CPA3CYP1A2CPA1CPB1

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 3 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
EP-0206624-A2 Diperoxy acids and bleaching therewith THE PROCTER & GAMBLE COMPANY (US) 1986-12-30 EP disclosed