SCHEMBL8976434

SCHEMBL8976434

O=[N+]([O-])c1ccc(C2OC=CO2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
HSD17B10 Q99714 2/20 0.45
ACHE P22303 1/20 0.45
EPHX1 P07099 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 3/20 0.43
RECQL P46063 2/20 0.43
TSHR P16473 1/20 0.42
CES1 P23141 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
CA12 O43570 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL699498 0.78 EPHX1 (0.44) ALDH1A1HSD17B10ACHEEPHX1MEN1
SCHEMBL10257689 0.76 MEN1 (0.49) ALDH1A1HSD17B10ACHEEPHX1MEN1
SCHEMBL6259653 0.75 MAPT (0.44) ALDH1A1HSD17B10ACHEEPHX1MEN1
SCHEMBL11693135 0.74 EPHX1 (0.61) ALDH1A1HSD17B10ACHEEPHX1MEN1
SCHEMBL22567 0.74 ALDH1A1 (0.72) ALDH1A1HSD17B10ACHEMEN1KMT2A
SCHEMBL27909482 0.74 ALDH1A1 (0.72) ALDH1A1HSD17B10ACHEMEN1KMT2A
SCHEMBL6175110 0.73 KMT2A (0.46) ALDH1A1HSD17B10ACHEEPHX1MEN1
SCHEMBL29492618 0.72 EPHX1 (0.40) ALDH1A1HSD17B10ACHEEPHX1MEN1
SCHEMBL9636565 0.72 SMN1; SMN2 (0.53) ALDH1A1HSD17B10ACHEEPHX1MEN1
Hydrogen Sulfide SCHEMBL27319417 0.71 ALDH1A1 (0.68) ALDH1A1HSD17B10ACHEMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0537518-B1 Derivatives of 2,2-dihalobenzo(1,3)dioxoles substituted in the 4-position, methods for their preparation and their use BAYER AG (DE) 1996-04-17 EP disclosed
US-5281725-A Derivatives of 2,2-dihalogenobenzo[1,3]dioxoles substituted in the 4-position, processes for their preparation and their use BAYER AKTIENGESELLSCHAFT (DE) 1994-01-25 US disclosed
EP-0537518-A1 Derivatives of 2,2-dihalobenzo(1,3)dioxoles substituted in the 4-position, methods for their preparation and their use BAYER AG (DE) 1993-04-21 EP disclosed