SCHEMBL9079083

SCHEMBL9079083

COCc1c(Cl)ccc(C(=O)OC)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
PDK2 Q15119 1/20 0.42
PDK4 Q16654 1/20 0.42
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.40
PTGS2 P35354 1/20 0.40
KMT2A Q03164 3/20 0.39
LMNA P02545 3/20 0.39
MEN1 O00255 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NR4A2 P43354 2/20 0.38
MAPT P10636 3/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL9077199 0.85 KMO (0.44) TSHRALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL3436908 0.83 ABL1 (0.42) ABL1CA12CA1CA2CA7
SCHEMBL8307454 0.82 ABL1 (0.41) ABL1CA12CA1CA2CA7
SCHEMBL18298886 0.82 ABL1 (0.41) ABL1CA12CA1CA2CA7
SCHEMBL17681680 0.82 AKR1B1 (0.49) ABL1CA12CA1CA2CA7
SCHEMBL8145311 0.81 ABL1 (0.41) ABL1CA12CA1CA2CA7
SCHEMBL9075730 0.80 VCAM1 (0.38) ABL1CA12CA1CA2CA7
SCHEMBL7168937 0.80 KMT2A (0.37) ABL1CA12CA1CA2CA7
SCHEMBL18299405 0.80 ALDH1A1 (0.40) ABL1CA12CA1CA2CA7
SCHEMBL18299807 0.80 TSHR (0.41) ABL1CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0282944-B1 Pyrazole derivative and herbicide containing it NISSAN CHEMICAL IND LTD (JP) 1996-09-11 EP disclosed
US-5175299-A Benzoic acid derivatives useful as intermediates for the preparation of herbicidal 4-benzoylpyrazoles NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-29 US disclosed
US-4948887-A FOR UPLAND FIELDS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1990-08-14 US disclosed
EP-0282944-A2 Pyrazole derivative and herbicide containing it NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1988-09-21 EP disclosed