SCHEMBL28602015

SCHEMBL28602015

Cc1ccccc1C(=O)C1(C(=O)c2ccccc2C)OC(=O)C(c2ccccc2)(c2ccccc2)OC1=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.36
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
ERCC5 P28715 1/20 0.36
FEN1 P39748 1/20 0.36
CFTR P13569 1/20 0.34
GOPC Q9HD26 1/20 0.34
P2RX7 Q99572 1/20 0.34
MYC P01106 1/20 0.33
HCAR3 P49019 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGA5 P08648 1/20 0.33

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
SCHEMBL7635908 0.72 CFTR (0.56) CHRM2CHRM4CFTRGOPCHCAR3
SCHEMBL21922362 0.71 CHRM2 (0.45) CHRM2CHRM4CFTRGOPCHCAR3
SCHEMBL38665394 0.65 P2RX7 (0.45) HPGDERCC5FEN1P2RX7MYC
SCHEMBL5678496 0.64 HPGD (0.50) HPGDERCC5FEN1MYCALDH1A1
SCHEMBL31135508 0.62 HPGD (0.47) HPGDERCC5FEN1MYCALDH1A1
Toluic Acid SCHEMBL6571818 0.62 ALDH1A1 (0.65) HPGDERCC5FEN1MYCALDH1A1
Toluic Acid SCHEMBL4152 0.62 ALDH1A1 (0.65) HPGDERCC5FEN1MYCALDH1A1
Toluic Acid SCHEMBL148201 0.62 ALDH1A1 (0.65) HPGDERCC5FEN1MYCALDH1A1
SCHEMBL1029641 0.62 HPGD (0.47) HPGDERCC5FEN1MYCALDH1A1
Toluic Acid SCHEMBL29414127 0.62 ALDH1A1 (0.65) HPGDERCC5FEN1MYCALDH1A1

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
CN-113242766-A Hydrogenation process comprising a catalyst prepared by adding an organic compound in the gas phase IFP 新能源公司 2021-08-10 CN claimed
CN-113242766-A Hydrogenation process comprising a catalyst prepared by adding an organic compound in the gas phase IFP 新能源公司 2021-08-10 CN disclosed