SCHEMBL9722944

SCHEMBL9722944

CCC(=O)OC(=O)C(Cl)CCl

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.34
ALDH1A1 P00352 3/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
SOAT1 P35610 1/20 0.32
CYP1A2 P05177 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
BLM P54132 1/20 0.31
WRN Q14191 1/20 0.31
HIF1A Q16665 1/20 0.31
CYP2C9 P11712 1/20 0.31
TRPA1 O75762 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
SCHEMBL9722940 0.83 TP53 (0.30)
SCHEMBL7662336 0.81
SCHEMBL15259527 0.79 NAAA (0.35) NAAAALDH1A1MGAMGAASI
SCHEMBL28112048 0.78 NAAA (0.38) NAAAALDH1A1MGAMGAASI
SCHEMBL8925212 0.77 HCAR2 (0.38) NAAAALDH1A1CYP2C9
SCHEMBL952092 0.76 NAAA (0.37) NAAAALDH1A1MGAMGAASI
SCHEMBL8925081 0.74 ALDH1A1 (0.50) NAAAALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL809340 0.73
SCHEMBL8926650 0.73 TSHR (0.43) ALDH1A1CYP2C9
SCHEMBL10399600 0.72 NAAA (0.48) NAAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115181073-A Red fluorescent probe for detecting elastase as well as preparation method and application of red fluorescent probe 武汉工程大学 2022-10-14 CN disclosed
US-5092903-A PROCESS FOR DYEING OR PRINTING BLENDS OF CELLULOSIC FIBRE MATERIALS AND SILK WITH DIHALO-PROPIONAMIDO OR HALO-ACRYL AMIDO REACTIVE DYES CIBA-GEIGY CORPORATION (US) 1992-03-03 US disclosed
US-4908436-A Reactive dyes CIBA-GEIGY CORPORATION (US) 1990-03-13 US disclosed
US-4885360-A FOR CELLULOSE CIBA-GEIGY CORPORATION (US) 1989-12-05 US disclosed
US-4801694-A Triazinyl reactive dyestuffs in which triazinyl group is further substituted with a beta-chloroethylsulfonyl- or vinylsulfonylbutyrylamino moiety CIBA-GEIGY CORPORATION (US) 1989-01-31 US disclosed