SCHEMBL9064356

SCHEMBL9064356

CC(=O)Oc1cc(C(=O)Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
TSHR P16473 5/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
CASP6 P55212 1/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 2/20 0.42
LMNA P02545 2/20 0.42
RAF1 P04049 1/20 0.42
HPGD P15428 1/20 0.42
GFER P55789 1/20 0.42
PAX8 Q06710 1/20 0.42
PDK1 Q15118 1/20 0.41
VCAM1 P19320 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MYC P01106 1/20 0.39
MAX P61244 1/20 0.39
TTR P02766 1/20 0.39

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
SCHEMBL13461422 0.88 PDK1 (0.50) ALDH1A1TSHRKDM4EGAARAB9A
SCHEMBL5691015 0.86 TSHR (0.63) ALDH1A1TSHRKDM4EGAARAB9A
SCHEMBL29682640 0.84 ALDH1A1 (0.50) ALDH1A1TSHRRAB9AMAPTMAPK1
SCHEMBL22698 0.84 ALDH1A1 (0.50) ALDH1A1TSHRRAB9AMAPTMAPK1
SCHEMBL11705575 0.82 KMT2A (0.50) ALDH1A1TSHRKDM4EGAARAB9A
SCHEMBL9597051 0.81 TSHR (0.51) ALDH1A1TSHRMAPK1LMNASMN1; SMN2
SCHEMBL3729178 0.81 MAPT (0.52) ALDH1A1TSHRGAARAB9AMAPT
SCHEMBL16295396 0.80 KDM4E (0.54) ALDH1A1KDM4EGAARAB9AMAPT
SCHEMBL10747235 0.80 RECQL (0.52) ALDH1A1TSHRGAAMAPK1HPGD
SCHEMBL3942259 0.79 TTR (0.57) ALDH1A1TSHRGAACASP6MAPT

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
US-5514676-A TO INHIBIT THE FORMATION OF ADVANCED GLYCOSLYATION PRODUCTS BY THE NONENZYMATIC CROSSLINKING OF PROTEINS WITH REDUCING SUGARS, USED IN FOOD PRESERVATION AND TO PREVENT PROTEIN AGING IN COLLAGEN OR LENSES IN THE EYE PRESERVATION THE ROCKEFELLER UNIVERSITY (US) 1996-05-07 US disclosed
US-5476849-A Inhibiting advanced glycosylation and/or crosslinking of target protein THE ROCKEFELLER UNIVERSITY (US) 1995-12-19 US disclosed