SCHEMBL7203368

SCHEMBL7203368

CC(C)(C(=O)O)C(=O)c1ccc2ccccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.55
CES1 P23141 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.47
HPGD P15428 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
EGFR P00533 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
JAK1 P23458 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PTPN1 P18031 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
SCHEMBL855617 0.83 CES2 (0.61) CES2CES1SMN1; SMN2HPGDKDM4E
SCHEMBL3957744 0.81 CES2 (0.59) CES2CES1SMN1; SMN2HPGDKDM4E
SCHEMBL29772071 0.81 CES2 (0.59) CES2CES1SMN1; SMN2HPGDKDM4E
SCHEMBL761473 0.81 CES2 (0.59) CES2CES1SMN1; SMN2HPGDKDM4E
SCHEMBL15120380 0.81 CES2 (0.59) CES2CES1SMN1; SMN2HPGDKDM4E
SCHEMBL15385170 0.80 CES2 (0.57) CES2CES1SMN1; SMN2HPGDKDM4E
SCHEMBL758629 0.80 CES2 (0.57) CES2CES1SMN1; SMN2HPGDKDM4E
SCHEMBL819138 0.78 CES1 (0.54) CES2CES1SMN1; SMN2HPGDKDM4E
Anthracene SCHEMBL28482920 0.78 ELANE (0.46) CES2CES1SMN1; SMN2HPGDKDM4E
SCHEMBL13138847 0.77 CES2 (0.53) CES2CES1SMN1; SMN2HPGDKDM4E

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-0927238-B1 RINSE ADDED FABRIC SOFTENING COMPOSITIONS AND METHOD OF USE FOR THE DELIVERY OF FRAGRANCE DERIVATIVES PROCTER & GAMBLE (US) 2003-05-21 EP claimed
EP-0922084-B1 LAUNDRY DETERGENT COMPOSITIONS COMPRISING BETA-KETOESTER PRO-FRAGRANCES PROCTER & GAMBLE (US) 2002-11-13 EP claimed