SCHEMBL15096892

SCHEMBL15096892

O=C(OCc1ccccc1[N+](=O)[O-])N1CCC(OC(=O)C23CC4CC(CC(C4)C2)C3)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.42
KDM4E B2RXH2 1/20 0.41
OPRK1 P41145 1/20 0.39
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2C19 P33261 2/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
GAA P10253 2/20 0.37
ACHE P22303 1/20 0.37
KMT2A Q03164 2/20 0.37

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
SCHEMBL15096895 0.89 KDM4E (0.39) OPRM1KDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL15096897 0.83 CYP2C19 (0.36) OPRM1KDM4EOPRK1ALDH1A1SMN1; SMN2
SCHEMBL10925246 0.83 CYP17A1 (0.50) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL29354010 0.80 KDM4E (0.44) OPRM1KDM4EOPRK1ALDH1A1SMN1; SMN2
SCHEMBL16253856 0.80 KDM4E (0.44) OPRM1KDM4EOPRK1ALDH1A1SMN1; SMN2
SCHEMBL14803212 0.80 OPRM1 (0.47) OPRM1KDM4EOPRK1ALDH1A1SMN1; SMN2
SCHEMBL31413527 0.80 OPRM1 (0.47) OPRM1KDM4EOPRK1ALDH1A1SMN1; SMN2
SCHEMBL1056588 0.79 KDM4E (0.55) KDM4EALDH1A1SMN1; SMN2RAB9AL3MBTL1
SCHEMBL18022330 0.79 ACHE (0.60) OPRM1KDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL11964034 0.78 KDM4E (0.45) OPRM1KDM4EOPRK1SMN1; SMN2NPC1

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
US-8956800-B2 Resist composition and method of forming resist pattern TOKYO OHKA KOGYO CO., LTD. (JP) 2015-02-17 US disclosed
US-8956800-B2 Resist composition and method of forming resist pattern TOKYO OHKA KOGYO CO., LTD. (JP) 2015-02-17 US disclosed
US-20130177853-A1 RESIST COMPOSITION AND METHOD OF FORMING RESIST PATTERN TOKYO OHKA KOGYO CO., LTD. (JP) 2013-07-11 US disclosed
US-20130177853-A1 RESIST COMPOSITION AND METHOD OF FORMING RESIST PATTERN TOKYO OHKA KOGYO CO., LTD. (JP) 2013-07-11 US disclosed