SCHEMBL4138678

SCHEMBL4138678

O=[PH](O)O[PH](=O)OC(O)Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
TRPA1 O75762 2/20 0.38
SRR Q9GZT4 2/20 0.38
LAP3 P28838 4/20 0.37
ALPI P09923 1/20 0.37
PKM P14618 1/20 0.37
PTGS1 P23219 1/20 0.37
XIAP P98170 1/20 0.37
SLC7A5 Q01650 1/20 0.37
PPARG P37231 3/20 0.36
PPARA Q07869 2/20 0.36
KEAP1 Q14145 1/20 0.36
MDM2 Q00987 1/20 0.36
CPA1 P15085 2/20 0.35
CPA3 P15088 2/20 0.35
ANPEP P15144 1/20 0.35
FOLH1 Q04609 1/20 0.35
CPB1 P15086 1/20 0.35
CPB2 Q96IY4 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
SCHEMBL9052442 0.73 CYP1A2 (0.45) CYP1A2TRPA1SRRLAP3ALPI
Hydrochloric Acid SCHEMBL7378130 0.72 SRR (0.44) CYP1A2TRPA1SRRLAP3ALPI
SCHEMBL8610252 0.70 EPHX1 (0.52) CYP1A2SRRLAP3ALPIPKM
SCHEMBL15451165 0.70 CYP1A2 (0.42) CYP1A2TRPA1SRRLAP3ALPI
Diphenylmethane SCHEMBL28323947 0.70 CALM1 (0.55) PPARGPPARA
SCHEMBL10589698 0.69 MDM2 (0.48) CYP1A2TRPA1SRRLAP3ALPI
SCHEMBL11491833 0.69 CYP1A2 (0.48) CYP1A2TRPA1SRRLAP3ALPI
SCHEMBL16963127 0.69 CPA1 (0.42) CYP1A2TRPA1SRRLAP3ALPI
SCHEMBL297993 0.69 EPHX1 (0.43) CYP1A2SRRALPIPKMPTGS1
SCHEMBL9052440 0.69 CYP1A2 (0.43) CYP1A2SRRLAP3ALPIPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115210349-A Dishwashing detergent product 联合利华知识产权控股有限公司 2022-10-18 CN claimed
CN-115151629-A Dishwashing detergent product 联合利华知识产权控股有限公司 2022-10-04 CN disclosed
US-20090197787-A1 Multilayer Detergent Tablet EUROTAB 2009-08-06 US disclosed
CN-101370863-A Porous materials and process for their production BASF SE (DE) 2009-02-18 CN disclosed
CN-1328122-A Use of medicine composition containing perfume alcohol beta-aminoester compound PROCTER & GAMBLE (US) 2001-12-26 CN disclosed
CN-1206402-A Beta-amino ester compounds of perfume alcohols PROCTER & GAMBLE (US) 1999-01-27 CN disclosed