SCHEMBL11220536

SCHEMBL11220536

O=C(O)CC(=O)CC(Cl)(Cl)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.46
HIF1A Q16665 1/20 0.46
CYP1A2 P05177 1/20 0.45
MMP12 P39900 1/20 0.43
MAPT P10636 4/20 0.38
KMT2A Q03164 3/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
TSHR P16473 3/20 0.38
KCNN4 O15554 1/20 0.37
MIF P14174 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL8161300 0.88 CYP1A2 (0.52) CYP2C19HIF1ACYP1A2MAPTKMT2A
SCHEMBL6548609 0.84 HIF1A (0.57) CYP2C19HIF1ACYP1A2MAPTKMT2A
SCHEMBL28833416 0.76 CYP1A2 (0.48) CYP2C19HIF1ACYP1A2MAPTKMT2A
SCHEMBL18095655 0.73 MAPT (0.55) CYP2C19HIF1AMMP12MAPTKMT2A
SCHEMBL27621428 0.72 CYP1A2 (0.48) CYP2C19HIF1ACYP1A2MAPTTSHR
SCHEMBL8166179 0.72 CYP1A2 (0.48) CYP2C19HIF1ACYP1A2MAPTKMT2A
SCHEMBL8846168 0.72 CYP2C19 (0.49) CYP2C19HIF1ACYP1A2MMP12KMT2A
SCHEMBL28021844 0.71 CYP1A2 (0.47) CYP2C19HIF1ACYP1A2MAPTTSHR
SCHEMBL15125012 0.69 HIF1A (0.55) CYP2C19HIF1ACYP1A2MAPTKMT2A
SCHEMBL28995295 0.69 KIF11 (0.50) MMP12KIF11DNMT1

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
JP-57018668-A None JP disclosed
JP-S5718668-A PREPARATION OF 4-BENZOYL-5-HYDROXYPYRAZOLE COMPOUND ISHIHARA SANGYO KAISHA LTD 1982-01-30 JP disclosed