SCHEMBL9130750

SCHEMBL9130750

CCCCOC(=O)COc1ccc(C(=O)Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 6/20 0.57
PLA2G4A P47712 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
ALDH1A1 P00352 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.53
HTT P42858 1/20 0.52
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49

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
SCHEMBL162987 0.89 TP53 (0.64) PLA2G4BPLA2G4AL3MBTL1ALDH1A1TP53
SCHEMBL9130182 0.86 GAA (0.62) PLA2G4BALDH1A1TP53
SCHEMBL1023839 0.85 TP53 (0.70) PLA2G4BPLA2G4AL3MBTL1TP53TSHR
SCHEMBL21384542 0.84 CYP1A2 (0.68) PLA2G4BPLA2G4AL3MBTL1ALDH1A1TDP1
SCHEMBL5206359 0.84 TP53 (0.73) PLA2G4BPLA2G4ATP53TSHR
SCHEMBL9161795 0.84 TP53 (0.73) PLA2G4BPLA2G4ATP53TSHR
SCHEMBL8728342 0.84 TP53 (0.73) PLA2G4BPLA2G4ATP53TSHR
SCHEMBL1022325 0.84 TP53 (0.73) PLA2G4BPLA2G4ATP53TSHR
SCHEMBL4209056 0.84 TP53 (0.73) PLA2G4BPLA2G4ATP53TSHR
SCHEMBL10045771 0.84 TP53 (0.73) PLA2G4BPLA2G4ATP53TSHR

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-5399703-A Antiallergens NIPPON SHINYAKU COMPANY, LIMITED (JP) 1995-03-21 US disclosed
EP-0536400-A1 TETRAZOLE DERIVATIVE AND MEDICINE NIPPON SHINYAKU COMPANY, LIMITED (JP) 1993-04-14 EP disclosed