SCHEMBL11221841

SCHEMBL11221841

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

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
CTSD P07339 1/20 0.49
MAPT P10636 5/20 0.48
GAA P10253 2/20 0.48
HTT P42858 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
POLB P06746 1/20 0.48
MAOB P27338 1/20 0.48
TSHR P16473 1/20 0.45
LMNA P02545 2/20 0.44
HSP90AA1 P07900 1/20 0.43
ATM Q13315 1/20 0.43
CES2 O00748 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
SCHEMBL11221822 1.00 ALDH1A1 (0.51) ALDH1A1CTSDMAPTGAAHTT
SCHEMBL9476587 0.90 MEN1 (0.51) ALDH1A1CTSDMAPTGAAHTT
SCHEMBL15880700 0.81 PRMT1 (0.51) ALDH1A1CTSDMAPTGAAHTT
SCHEMBL11229633 0.81 ALDH1A1 (0.52) ALDH1A1CTSDMAPTGAAHTT
SCHEMBL11229636 0.81 ALDH1A1 (0.52) ALDH1A1CTSDMAPTGAAHTT
SCHEMBL7882872 0.79 ALDH1A1 (0.53) ALDH1A1CTSDMAPTKDM4ETDP1
SCHEMBL6832634 0.79 ALDH1A1 (0.53) ALDH1A1CTSDMAPTKDM4ETDP1
SCHEMBL11100530 0.79 ALDH1A1 (0.53) ALDH1A1CTSDMAPTKDM4ETSHR
SCHEMBL11100526 0.79 ALDH1A1 (0.53) ALDH1A1CTSDMAPTKDM4ETSHR
SCHEMBL15876035 0.78 CTSD (0.46) ALDH1A1CTSDMAPTGAAHTT

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