SCHEMBL11237433

SCHEMBL11237433

O=C(NNC(=O)c1cc(Cl)cc(Cl)c1O)c1cc(Cl)cc(Cl)c1O

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C4 P17516 1/20 0.64
AKR1C3 P42330 1/20 0.64
AKR1C2 P52895 1/20 0.64
AKR1C1 Q04828 1/20 0.64
PTGS1 P23219 1/20 0.60
TBXAS1 P24557 1/20 0.60
MAPK1 P28482 1/20 0.60
PTGS2 P35354 1/20 0.60
MAPK14 Q16539 1/20 0.60
ALDH1A1 P00352 1/20 0.52
CYP3A4 P08684 1/20 0.52
TSHR P16473 1/20 0.52
RECQL P46063 1/20 0.52
HSD17B10 Q99714 1/20 0.52
STK39 Q9UEW8 10/20 0.51
ACLY P53396 1/20 0.49
PNLIP P16233 1/20 0.48

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
SCHEMBL14365367 0.86 AKR1C4 (0.62) AKR1C4AKR1C3AKR1C2AKR1C1PTGS1
SCHEMBL19321444 0.84 AKR1C4 (0.60) AKR1C4AKR1C3AKR1C2AKR1C1PTGS1
SCHEMBL3713890 0.84 AKR1C4 (0.60) AKR1C4AKR1C3AKR1C2AKR1C1PTGS1
SCHEMBL6714042 0.82 AKR1C4 (0.58) AKR1C4AKR1C3AKR1C2AKR1C1PTGS1
SCHEMBL13320226 0.81 AKR1C4 (0.56) AKR1C4AKR1C3AKR1C2AKR1C1PTGS1
SCHEMBL28392557 0.81 HSPA5 (0.64) AKR1C4AKR1C3AKR1C2AKR1C1PTGS1
SCHEMBL19325836 0.80 AKR1C4 (0.55) AKR1C4AKR1C3AKR1C2AKR1C1PTGS1
SCHEMBL2454782 0.80 AKR1C4 (0.55) AKR1C4AKR1C3AKR1C2AKR1C1PTGS1
SCHEMBL29375230 0.78 AKR1C2 (1.00) AKR1C4AKR1C3AKR1C2AKR1C1PTGS1
SCHEMBL184603 0.78 AKR1C2 (1.00) AKR1C4AKR1C3AKR1C2AKR1C1PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4324682-A PRESSURE RUPTURABLE; FOR MARKING AND IDENTIFICATION AMERICAN CYANAMID COMPANY (US) 1982-04-13 US disclosed
US-4306930-A INCORPORATING A HYDRAZIDE OR DIHYDRAZIDE AND THEN VULCANIZING IN CONTACT WITH A METAL CIBA-GEIGY CORPORATION (US) 1981-12-22 US disclosed
US-4077948-A N-SALICYLIDENE-N*-SALICYLHYDRAZIDES CIBA-GEIGY CORPORATION (US) 1978-03-07 US disclosed
US-3994987-A Metal deactivators as adhesion promotors for vulcanizable elastomers to metals CIBA-GEIGY CORPORATION (US) 1976-11-30 US disclosed
US-3960755-A Detecting compositions and method of using same AMERICAN CYANAMID COMPANY (US) 1976-06-01 US disclosed