SCHEMBL11229636

SCHEMBL11229636

CCOC(=O)C=C(c1ccccc1)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.52
GAA P10253 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
RAB9A P51151 3/20 0.50
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
HTT P42858 1/20 0.45
GLA P06280 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TSHR P16473 1/20 0.43
CTSD P07339 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 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
SCHEMBL11229633 1.00 ALDH1A1 (0.52) ALDH1A1GAASMN1; SMN2RAB9ALMNA
SCHEMBL11102060 0.83 RAB9A (0.53) ALDH1A1GAASMN1; SMN2RAB9ALMNA
SCHEMBL11102063 0.83 RAB9A (0.53) ALDH1A1GAASMN1; SMN2RAB9ALMNA
SCHEMBL11218903 0.82 CES2 (0.53) ALDH1A1GAASMN1; SMN2RAB9AMAPT
SCHEMBL6833469 0.82 CES2 (0.53) ALDH1A1GAASMN1; SMN2RAB9AMAPT
SCHEMBL6833468 0.82 CES2 (0.53) ALDH1A1GAASMN1; SMN2RAB9AMAPT
SCHEMBL11221822 0.81 ALDH1A1 (0.51) ALDH1A1GAALMNAMAPTHTT
SCHEMBL11221841 0.81 ALDH1A1 (0.51) ALDH1A1GAALMNAMAPTHTT
SCHEMBL1070286 0.80 MEN1 (0.53) ALDH1A1GAASMN1; SMN2RAB9ALMNA
SCHEMBL31523812 0.80 MAPT (0.48) ALDH1A1GAASMN1; SMN2RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4342781-A PREVENTING AND TREATING ALLERGIC BRONCHIAL ASTHMA, RHINITIS AND SKIN DISORDERS PFIZER INC. (US) 1982-08-03 US disclosed