SCHEMBL9838976

SCHEMBL9838976

C=Cc1cc(OC)c(OC)cc1[N+](=O)[O-]

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.72
KDM4E B2RXH2 4/20 0.72
MAPT P10636 4/20 0.72
CYP3A4 P08684 2/20 0.72
ALOX15 P16050 1/20 0.72
PRKDC P78527 1/20 0.72
HSD17B10 Q99714 1/20 0.72
TDP1 Q9NUW8 2/20 0.48
PLIN1 O60240 2/20 0.47
PLIN5 Q00G26 2/20 0.47
ABHD5 Q8WTS1 2/20 0.47
PABPC1 P11940 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CYP19A1 P11511 1/20 0.46
GAA P10253 2/20 0.44
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP2D6 P10635 1/20 0.42

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
SCHEMBL12322918 0.88 ALDH1A1 (0.57) ALDH1A1KDM4EMAPTCYP3A4ALOX15
SCHEMBL18359223 0.87 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTCYP3A4ALOX15
SCHEMBL3645767 0.85 ALDH1A1 (0.77) ALDH1A1KDM4EMAPTCYP3A4ALOX15
SCHEMBL123899 0.84 ALDH1A1 (0.74) ALDH1A1KDM4EMAPTCYP3A4ALOX15
SCHEMBL211200 0.84 ALDH1A1 (1.00) ALDH1A1KDM4EMAPTCYP3A4ALOX15
SCHEMBL16370854 0.81 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTCYP3A4ALOX15
SCHEMBL18039273 0.81 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTCYP3A4ALOX15
SCHEMBL210330 0.80 ALDH1A1 (0.68) ALDH1A1KDM4EMAPTCYP3A4ALOX15
SCHEMBL29800558 0.80 ALDH1A1 (0.68) ALDH1A1KDM4EMAPTCYP3A4ALOX15
SCHEMBL2589872 0.80 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTCYP3A4ALOX15

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-4981985-A Synthesis of photolabile chelators for multivalent cations TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1991-01-01 US disclosed
US-4859551-A Process for preparing positive and negative images using photohardenable electrostatic master E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-08-22 US disclosed
EP-0315121-A2 Process for preparing positive and negative images using photohardenable electrostatic master E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-05-10 EP disclosed
US-4269933-A PHOTOLITHOGRAPHY; POSITIVE AND NEGATIVE IMAGES; POLYMERIZATION OF A UNSATURATED POLYESTER USING A PHOTOSENSITIVE FREE RADICAL SYSTEM E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-05-26 US disclosed
US-4198242-A Photopolymerizable composition containing an o-nitroaromatic compound as photoinhibitor E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-04-15 US disclosed