SCHEMBL10694547

SCHEMBL10694547

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.50
GABRB2 P47870 1/20 0.50
AKR1B1 P15121 1/20 0.40
ELANE P08246 1/20 0.40
KMT2A Q03164 7/20 0.39
MEN1 O00255 6/20 0.39
MAPT P10636 4/20 0.39
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 4/20 0.37
GAA P10253 4/20 0.37
HTT P42858 3/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CASP1 P29466 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALOX12 P18054 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL10695462 0.86 ALDH1A1 (0.43) GABRA1GABRB2KDM4EALDH1A1LMNA
SCHEMBL30892337 0.80 GABRA1 (0.54) GABRA1GABRB2AKR1B1ELANEKMT2A
SCHEMBL29258755 0.80 GABRA1 (0.54) GABRA1GABRB2AKR1B1ELANEKMT2A
SCHEMBL10694550 0.78 GABRA1 (0.56) GABRA1GABRB2AKR1B1KMT2AMEN1
SCHEMBL5659189 0.77 GABRA1 (0.63) GABRA1GABRB2AKR1B1ELANEKMT2A
SCHEMBL8074013 0.74 GABRA1 (0.59) GABRA1GABRB2AKR1B1ELANEKMT2A
SCHEMBL1245192 0.74 GABRA1 (0.59) GABRA1GABRB2AKR1B1ELANEKMT2A
SCHEMBL29455293 0.74 GABRA1 (0.59) GABRA1GABRB2AKR1B1ELANEKMT2A
SCHEMBL9268988 0.74 GABRA1 (0.59) GABRA1GABRB2AKR1B1ELANEKMT2A
SCHEMBL10454511 0.74 GABRA1 (0.54) GABRA1GABRB2AKR1B1ELANEKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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
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