SCHEMBL1552387

SCHEMBL1552387

CCC(C)Cc1cccc(C(=O)O)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGB1 P09429 1/20 0.53
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GABRA1 P14867 2/20 0.46
GABRB2 P47870 2/20 0.46
ALB P02768 1/20 0.43
MMP2 P08253 1/20 0.43
CLCN2 P51788 1/20 0.42
HNF4A P41235 1/20 0.41
POLB P06746 1/20 0.39
KMT2A Q03164 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
FOLH1 Q04609 1/20 0.38
MEN1 O00255 1/20 0.37
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN6 P29350 1/20 0.37

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
SCHEMBL10821860 0.88 HMGB1 (0.50) HMGB1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL10782179 0.85 HMGB1 (0.54) HMGB1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL39111 0.85 GABRA1 (0.66) HMGB1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9724910 0.85 FOLH1 (0.49) ALDH1A1KDM4ECLCN2POLBKMT2A
SCHEMBL9724906 0.85 FOLH1 (0.49) ALDH1A1KDM4ECLCN2POLBKMT2A
Bicarbonate SCHEMBL236892 0.83 GABRA1 (0.63) HMGB1ALDH1A1KDM4EHPGDHSD17B10
Bicarbonate SCHEMBL21836081 0.83 GABRA1 (0.63) HMGB1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9325688 0.81 GABRA1 (0.65) HPGDGABRA1GABRB2CYP3A4LMNA
SCHEMBL29695710 0.81 HMGB1 (0.65) HMGB1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL39623 0.81 HMGB1 (0.65) HMGB1ALDH1A1KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014187576-A1 DEODORIZING ACTIVE INGREDIENT COMBINATION HENKEL AG & CO. KGAA (DE) 2014-11-27 WO claimed
EP-2211829-B1 IMPROVEMENT OF THE FRAGRANCE EFFECT OF PERFUME ESTERS HENKEL AG & CO KGAA (DE) 2011-04-27 EP claimed
EP-2211829-A1 IMPROVEMENT OF THE FRAGRANCE EFFECT OF PERFUME ESTERS Henkel AG & Co. KGaA (DE) 2010-08-04 EP claimed
WO-2009059858-A1 IMPROVEMENT OF THE FRAGRANCE EFFECT OF PERFUME ESTERS HENKEL AG & CO. KGAA (DE) 2009-05-14 WO claimed
WO-2024175295-A1 DETERGENTS AND CLEANING AGENTS COMPRISING DISPERSIN AND FRAGRANCE HENKEL AG & CO. KGAA (DE) 2024-08-29 WO disclosed
WO-2014187576-A1 DEODORIZING ACTIVE INGREDIENT COMBINATION HENKEL AG & CO. KGAA (DE) 2014-11-27 WO disclosed
EP-2211829-B1 IMPROVEMENT OF THE FRAGRANCE EFFECT OF PERFUME ESTERS HENKEL AG & CO KGAA (DE) 2011-04-27 EP disclosed
EP-2211829-A1 IMPROVEMENT OF THE FRAGRANCE EFFECT OF PERFUME ESTERS Henkel AG & Co. KGaA (DE) 2010-08-04 EP disclosed
WO-2009059858-A1 IMPROVEMENT OF THE FRAGRANCE EFFECT OF PERFUME ESTERS HENKEL AG & CO. KGAA (DE) 2009-05-14 WO disclosed