SCHEMBL8306753

SCHEMBL8306753

O=C(Cl)c1ccc(C(=O)O)c(C(=O)Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 2/20 0.52
CDC25A P30304 1/20 0.52
HSD17B10 Q99714 1/20 0.52
POLB P06746 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 5/20 0.42
ALOX15 P16050 2/20 0.42
CYP1A2 P05177 1/20 0.42
TSHR P16473 5/20 0.42
CASP1 P29466 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NR4A1 P22736 1/20 0.41
TP53 P04637 2/20 0.40
AKR1C3 P42330 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39

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
SCHEMBL4613753 0.93 HSD17B10 (0.59) CDC25BCDC25AHSD17B10POLBTDP1
SCHEMBL11704191 0.91 HSD17B10 (0.52) CDC25BCDC25AHSD17B10POLBTDP1
SCHEMBL475973 0.91 KDM4E (0.60) CDC25BCDC25AHSD17B10POLBTDP1
SCHEMBL29440655 0.89 ALDH1A1 (0.40) CDC25BCDC25AHSD17B10POLBTDP1
SCHEMBL75886 0.89 ALDH1A1 (0.40) CDC25BCDC25AHSD17B10POLBTDP1
SCHEMBL4093150 0.86 CDC25A (0.47) CDC25BCDC25AHSD17B10POLBTDP1
SCHEMBL6560811 0.84 KDM4E (0.52) CDC25BCDC25AHSD17B10POLBTDP1
SCHEMBL11701892 0.83 KDM4E (0.55) CDC25BCDC25AHSD17B10POLBTDP1
SCHEMBL11704741 0.81 ALDH1A1 (0.57) HSD17B10POLBTDP1L3MBTL1KDM4E
SCHEMBL3374921 0.81 ALDH1A1 (0.49) CDC25BCDC25AHSD17B10POLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5948917-A INTERMEDIATE FOR THE PRODUCTION OF A HERBICIDALLY ACTIVE PYRAZOLE COMPOUND NIPPON SODA CO., LTD. (JP) 1999-09-07 US disclosed
EP-0891972-A1 3-(ISOXAZOL-5-YL)-SUBSTITUTED BENZOIC ACID DERIVATIVES AND PROCESS FOR PRODUCING THE SAME NIPPON SODA CO., LTD. (JP) 1999-01-20 EP disclosed
US-4059565-A Process for producing a branched polycarbonate or poly(ester-carbonate) MITSUBISHI GAS CHEMICAL COMPANY, INC. (JA) 1977-11-22 US disclosed