SCHEMBL7962269

SCHEMBL7962269

COc1cc(Cl)cc(OC(C)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.45
KMT2A Q03164 3/20 0.44
LMNA P02545 3/20 0.44
MEN1 O00255 2/20 0.44
CYP3A4 P08684 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TTR P02766 1/20 0.44
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 2/20 0.44
ALDH1A1 P00352 2/20 0.44
BACE1 P56817 2/20 0.44
F2 P00734 1/20 0.42
GLA P06280 1/20 0.42
CYP19A1 P11511 1/20 0.41
TNFSF11 O14788 1/20 0.40
RAB9A P51151 1/20 0.40
P2RX1 P51575 1/20 0.40
ALOX5 P09917 1/20 0.40

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
SCHEMBL919577 0.89 ALDH1A1 (0.55) KMT2ALMNAMEN1CYP3A4MAPT
SCHEMBL4797077 0.87 LMNA (0.46) ABCB11KMT2ALMNAMEN1CYP3A4
SCHEMBL6194628 0.82 CYP3A4 (0.55) KMT2ALMNAMEN1CYP3A4MAPT
SCHEMBL14707645 0.82 LMNA (0.55) KMT2ALMNAMEN1CYP3A4MAPT
SCHEMBL10765006 0.80 KMT2A (0.44) KMT2ALMNAMEN1CYP3A4MAPT
SCHEMBL4637234 0.80 CYP3A4 (0.53) ABCB11KMT2ALMNAMEN1CYP3A4
SCHEMBL16954598 0.80 KMT2A (0.48) KMT2ALMNAMEN1CYP3A4MAPT
SCHEMBL2010436 0.80 LMNA (0.59) KMT2ALMNAMEN1CYP3A4MAPT
SCHEMBL14700551 0.80 KMT2A (0.46) KMT2ALMNAMEN1CYP3A4MAPT
SCHEMBL16960587 0.80 KMT2A (0.44) KMT2ALMNAMEN1CYP3A4MAPT

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-1080258-C 1-H-3-aryl-pyrrolidine-2, 4-dione derivatives as pesticides BAYER AG (DE) 2002-03-06 CN disclosed
US-6255301-B1 CARDIOVASCULAR DISORDERS; ANTICOAGULANT; PROTEASE INHIBITORS ASTRAZENECA AB (SE) 2001-07-03 US disclosed