SCHEMBL7768949

SCHEMBL7768949

CC(CC(=O)Oc1ccccc1C(=O)O)CC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
RECQL P46063 1/20 0.54
HSD17B10 Q99714 7/20 0.53
HPGD P15428 5/20 0.53
ALDH1A1 P00352 6/20 0.52
ESR1 P03372 1/20 0.51
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
HMGB1 P09429 1/20 0.51
TSHR P16473 1/20 0.51
GGT1 P19440 1/20 0.51
PTGS1 P23219 1/20 0.51
PTGS2 P35354 1/20 0.51
BLM P54132 1/20 0.51
NAPRT Q6XQN6 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
LMNA P02545 1/20 0.47
CYP1A2 P05177 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
SCHEMBL10787853 0.99 KDM4E (0.52) KDM4EKMT2AMEN1RECQLHSD17B10
SCHEMBL6129360 0.86 ELANE (0.40) KDM4EKMT2AMEN1RECQLHSD17B10
SCHEMBL6566817 0.82 L3MBTL1 (0.44) KMT2AMEN1ALDH1A1TSHRTDP1
SCHEMBL7712758 0.82 KDM4E (0.64) KDM4EKMT2AMEN1RECQLHSD17B10
SCHEMBL60869 0.81 L3MBTL1 (0.43) KMT2AMEN1ALDH1A1TDP1LMNA
SCHEMBL28213611 0.80 KDM4E (0.60) KDM4EKMT2AMEN1RECQLHSD17B10
SCHEMBL29442454 0.79 CYP1A2 (0.40) KMT2AMEN1ALDH1A1LMNACYP1A2
SCHEMBL4956522 0.79 CYP1A2 (0.40) KMT2AMEN1ALDH1A1LMNACYP1A2
SCHEMBL28371379 0.78 CYP1A2 (0.39) KMT2AMEN1ALDH1A1LMNACYP1A2
SCHEMBL219767 0.77 MMP1 (0.37) KMT2AMEN1ALDH1A1MAPTELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0120591-B1 DETERGENT INGREDIENTS, AND THEIR USE IN CLEANING COMPOSITIONS AND WASHING PROCESSES THE PROCTER & GAMBLE COMPANY (US) 1987-09-23 EP claimed
US-20010046951-A1 Bleaching detergent composition KAO CORPORATION (JP) 2001-11-29 US disclosed
CN-1312359-A Bleaching detergent composition KAO CORP (JP) 2001-09-12 CN disclosed
EP-1122300-A1 Bleaching detergent composition Kao Corporation (JP) 2001-08-08 EP disclosed
EP-0320219-B1 Detergent compositions PROCTER & GAMBLE (US) 1994-03-02 EP disclosed
EP-0320219-A1 Detergent compositions THE PROCTER & GAMBLE COMPANY (US) 1989-06-14 EP disclosed
EP-0204116-B1 BLEACHING DETERGENT LIQUORS INCORPORATING NON LINEAR ALIPHATIC PEROXYCARBOXYLIC ACID PRECURSORS AND COMPOSITIONS FOR USE THEREIN THE PROCTER & GAMBLE COMPANY (US) 1989-04-19 EP disclosed
EP-0120591-B1 DETERGENT INGREDIENTS, AND THEIR USE IN CLEANING COMPOSITIONS AND WASHING PROCESSES THE PROCTER & GAMBLE COMPANY (US) 1987-09-23 EP disclosed
EP-0204116-A1 Bleaching detergent liquors incorporating non linear aliphatic peroxycarboxylic acid precursors and compositions for use therein THE PROCTER & GAMBLE COMPANY (US) 1986-12-10 EP disclosed
US-4536314-A PLEASANT ODOR THE PROCTER & GAMBLE COMPANY (US) 1985-08-20 US disclosed
EP-0120591-A1 Detergent ingredients, and their use in cleaning compositions and washing processes THE PROCTER & GAMBLE COMPANY (US) 1984-10-03 EP disclosed