SCHEMBL10694550

SCHEMBL10694550

C=CCc1cccc(O)c1O.OP(O)(=S)S

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.56
GABRB2 P47870 2/20 0.56
AKR1B1 P15121 1/20 0.48
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
MAPT P10636 3/20 0.44
GAA P10253 3/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CASP1 P29466 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
MAPK1 P28482 1/20 0.42
LMNA P02545 2/20 0.40
ALOX12 P18054 1/20 0.40
IAPP P10997 1/20 0.37
PKM P14618 1/20 0.36

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
SCHEMBL30817860 0.88 GABRA1 (0.70) GABRA1GABRB2AKR1B1KMT2AMEN1
SCHEMBL346369 0.88 GABRA1 (0.70) GABRA1GABRB2AKR1B1KMT2AMEN1
Phosphoric Acid SCHEMBL10778053 0.86 GABRA1 (0.59) GABRA1GABRB2AKR1B1KMT2AMEN1
SCHEMBL8074016 0.84 GABRA1 (0.66) GABRA1GABRB2AKR1B1KMT2AMEN1
Catechol SCHEMBL11664155 0.84 GABRA1 (0.66) GABRA1GABRB2AKR1B1KMT2AMEN1
Boric Acid SCHEMBL8622423 0.82 GABRA1 (0.63) GABRA1GABRB2AKR1B1KMT2AMEN1
Sulfuric Acid SCHEMBL10765800 0.79 GABRA1 (0.59) GABRA1GABRB2AKR1B1KMT2AMEN1
2-Allylphenol SCHEMBL732760 0.79 GABRA1 (0.48) GABRA1GABRB2AKR1B1KMT2AMEN1
SCHEMBL10694547 0.78 GABRA1 (0.50) GABRA1GABRB2AKR1B1KMT2AMEN1
Acetic Acid SCHEMBL16679832 0.78 GABRA1 (0.58) GABRA1GABRB2AKR1B1KMT2AMEN1

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
US-4729848-A OIL ADDITIVES CHEVRON RESEARCH COMPANY (US) 1988-03-08 US disclosed
US-4668409-A Lubricating oil compositions containing overbased calcium sulfonates and metal salts of alkyl catechol dithiophosphoric acid CHEVRON RESEARCH COMPANY (US) 1987-05-26 US disclosed