SCHEMBL11116529

SCHEMBL11116529

O=[N+]([O-])c1ccc(COOC2(OOCc3ccc([N+](=O)[O-])cc3)CCCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.50
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
AKR1C3 P42330 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
KDM4E B2RXH2 1/20 0.40
EPHX1 P07099 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAOB P27338 1/20 0.40
KCNJ1 P48048 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL8062311 0.78 IDO1 (0.70) IDO1ALDH1A1MAPTAKR1C3LOXL2
SCHEMBL11115468 0.75 TSHR (0.41) IDO1TSHRMAOB
SCHEMBL2265435 0.74 IDO1 (0.47) IDO1ALDH1A1MAPTLMNAAKR1C3
SCHEMBL12134062 0.72 IDO1 (0.61) IDO1ALDH1A1MAPTLMNAAKR1C3
SCHEMBL17636185 0.72 IDO1 (0.61) IDO1MAPTLMNAAKR1C3LOXL2
SCHEMBL6577663 0.72 IDO1 (0.61) IDO1ALDH1A1MAPTLMNAAKR1C3
SCHEMBL2351746 0.72 IDO1 (0.72) IDO1ALDH1A1MAPTAKR1C3LOXL2
SCHEMBL10539925 0.71 HTR2A (0.46) IDO1LMNAAKR1C3TSHRRAB9A
SCHEMBL2199007 0.71 HTR2A (0.49) IDO1AKR1C3CA12CA1CA2
SCHEMBL1824998 0.71 ALDH1A1 (0.50) IDO1ALDH1A1MAPTLMNALOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0046189-B1 ISOXAZOLINO-AZOXY COMPOUNDS AND PROCESS FOR THEIR PREPARATION BASF Aktiengesellschaft (DE) 1984-01-04 EP disclosed
EP-0046189-A1 Isoxazolino-azoxy compounds and process for their preparation BASF Aktiengesellschaft (DE) 1982-02-24 EP disclosed