SCHEMBL6120164

SCHEMBL6120164

OCC(O)O.c1cc2ccc1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.39
ESR2 Q92731 1/20 0.39
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
TDP1 Q9NUW8 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
MMP3 P08254 1/20 0.32
BCL2L1 Q07817 1/20 0.32
CYP3A4 P08684 2/20 0.32
TP53 P04637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP17A1 P05093 1/20 0.31
CYP19A1 P11511 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
SCN9A Q15858 1/20 0.31
ABL1 P00519 1/20 0.30
ABCB1 P08183 1/20 0.30
BCR P11274 1/20 0.30
MMP2 P08253 1/20 0.30

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
Hydroquinone SCHEMBL28129289 0.76 ALOX15 (0.53) ESR1ESR2ALDH1A1LMNATDP1
Isobutanol SCHEMBL27627626 0.76 TSHR (0.60) ESR1ESR2ALDH1A1TDP1HRH3
SCHEMBL1338106 0.76 TSHR (0.44) ALDH1A1LMNATDP1CYP3A4SCN9A
SCHEMBL87714 0.76
SCHEMBL9521987 0.73 ALDH1A1 (0.32) ALDH1A1LMNATDP1
P-Xylene SCHEMBL678224 0.73 ACHE (0.50) ALDH1A1LMNATDP1
SCHEMBL27766513 0.72 OR51E2 (0.70) LMNAMMP2MMP9MMP12MMP13
SCHEMBL28874684 0.71
SCHEMBL27491476 0.71
Ammonia Solution, Strong SCHEMBL20897527 0.71

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-2640775-A1 STABILIZED COMPOSITION COMPRISING HOMOPOLYMERS OR COPOLYMERS OF ETHYLENE AND NATURAL ANTIOXIDANTS Versalis S.p.A. (IT) 2013-09-25 EP disclosed
CN-103270101-A Stabilized composition comprising homopolymers or copolymers of ethylene and natural antioxidants VERSALIS SPA 2013-08-28 CN disclosed
WO-2012066126-A1 STABILIZED COMPOSITION COMPRISING HOMOPOLYMERS OR COPOLYMERS OF ETHYLENE AND NATURAL ANTIOXIDANTS POLIMERI EUROPA S.P.A. (IT) 2012-05-24 WO disclosed