SCHEMBL9878038

SCHEMBL9878038

[CH2]COOC(=O)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
MAPT P10636 6/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
LMNA P02545 1/20 0.46
GAA P10253 2/20 0.46
PKM P14618 1/20 0.46
TSHR P16473 1/20 0.45
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
IDO1 P14902 1/20 0.44
RECQL P46063 1/20 0.43

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
SCHEMBL2046883 0.84 LMNA (0.54) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL9710536 0.80 ALDH1A1 (0.57) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL27803277 0.80 ALDH1A1 (0.53) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL4435225 0.78 MAPT (0.52) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL24475548 0.77 ALDH1A1 (0.55) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL2441292 0.77 ALDH1A1 (0.57) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL28800245 0.77 ALDH1A1 (0.55) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL521069 0.77 MAPT (0.57) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL11445319 0.76 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL13892906 0.76 BCL9 (0.64) ALDH1A1MAPTMEN1KMT2AHTT

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-4992542-A Thienamycin antibiotics MERCK & CO., INC. (US) 1991-02-12 US disclosed