SCHEMBL7770599

SCHEMBL7770599

CC(C)CC(C)N(N=O)c1ccc(N(N=O)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
ALOX15 P16050 1/20 0.53
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
MMP8 P22894 2/20 0.33
MMP13 P45452 2/20 0.33
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30

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
SCHEMBL7769399 0.86 ALDH1A1 (0.52) ALDH1A1ALOX15LMNATP53SMN1; SMN2
SCHEMBL7773457 0.82 ALDH1A1 (0.63) ALDH1A1ALOX15LMNATP53SMN1; SMN2
SCHEMBL9292268 0.75 ALDH1A1 (0.94) ALDH1A1ALOX15
SCHEMBL3916108 0.73 ALDH1A1 (1.00) ALDH1A1ALOX15
SCHEMBL80329 0.73 ALDH1A1 (1.00) ALDH1A1ALOX15
SCHEMBL9064496 0.72 ALDH1A1 (0.44) ALDH1A1ALOX15SMN1; SMN2CHRNB2CHRNB4
SCHEMBL11355172 0.72 ALDH1A1 (0.50) ALDH1A1ALOX15LMNATP53SMN1; SMN2
SCHEMBL10795977 0.71 MCL1 (0.38) ALDH1A1SMN1; SMN2
SCHEMBL11271014 0.71 ALDH1A1 (0.94) ALDH1A1ALOX15
Hydrochloric Acid SCHEMBL10866136 0.71 ALDH1A1 (0.94) ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6210536-B1 DISTILLATION OF ACRYLIC OR METHACRYLIC ACID OR ESTER IN PRESENCE OF POLYMERIZATION INHIBITOR COMPRISING N,N*-DINITROSO PHENYLENEDIAMINE COMPOUND, A HYDROQUINONE OR HYDROQUINONE MONOMETHYL ETHER, PHENYLENEDIAMINE COMPOUND, PHENOTHIAZINE UNIROYAL CHEMICAL COMPANY, INC. 2001-04-03 US claimed
EP-0522709-B1 Polymerization inhibitors for acrylic acids and esters UNIROYAL CHEM CO INC (US) 1996-08-21 EP claimed
EP-0522709-A2 Polymerization inhibitors for acrylic acids and esters UNIROYAL CHEMICAL COMPANY, Inc. (US) 1993-01-13 EP claimed
US-6210536-B1 DISTILLATION OF ACRYLIC OR METHACRYLIC ACID OR ESTER IN PRESENCE OF POLYMERIZATION INHIBITOR COMPRISING N,N*-DINITROSO PHENYLENEDIAMINE COMPOUND, A HYDROQUINONE OR HYDROQUINONE MONOMETHYL ETHER, PHENYLENEDIAMINE COMPOUND, PHENOTHIAZINE UNIROYAL CHEMICAL COMPANY, INC. 2001-04-03 US disclosed
EP-0522709-B1 Polymerization inhibitors for acrylic acids and esters UNIROYAL CHEM CO INC (US) 1996-08-21 EP disclosed
EP-0522709-A2 Polymerization inhibitors for acrylic acids and esters UNIROYAL CHEMICAL COMPANY, Inc. (US) 1993-01-13 EP disclosed