SCHEMBL10503569

SCHEMBL10503569

CC(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
CTSV O60911 1/20 0.43
CTSL P07711 1/20 0.43
ALDH1A1 P00352 3/20 0.43
ALOX5 P09917 2/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
HSP90AA1 P07900 1/20 0.43
CES2 O00748 2/20 0.42
CES1 P23141 1/20 0.42
PTPN1 P18031 1/20 0.41
TP53 P04637 1/20 0.41
ACP3 P15309 1/20 0.41
ATM Q13315 1/20 0.41
MEN1 O00255 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
SCHEMBL584940 0.78 ALDH1A1 (0.55) LMNAALDH1A1MAPTTDP1KMT2A
SCHEMBL27808158 0.76 ALDH1A1 (0.46) ALDH1A1MAPTTDP1KMT2AGAA
SCHEMBL134091 0.76 ALDH1A1 (0.59) LMNAALDH1A1MAPTTDP1KMT2A
SCHEMBL9561790 0.76 ALDH1A1 (0.45) ALDH1A1MAPTTDP1KMT2AGAA
SCHEMBL10507280 0.74 CRHBP (0.47) LMNACTSVCTSLALDH1A1MAPT
SCHEMBL1644599 0.73 ALDH1A1 (0.58) CTSVCTSLALDH1A1MAPTTDP1
SCHEMBL5864201 0.73 ALDH1A1 (0.58) CTSVCTSLALDH1A1MAPTTDP1
Phenyl Ethanol SCHEMBL8170091 0.73 TP53 (0.53) ALDH1A1ALOX5MAPTTDP1KMT2A
SCHEMBL27245285 0.73 ALDH1A1 (0.54) LMNACTSVCTSLALDH1A1MAPT
SCHEMBL29222890 0.72 PTGS2 (0.55) ALDH1A1MAPTTDP1KMT2AGAA

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
US-4864031-A Process for the resolution of D,L-racemic mixtures YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 1989-09-05 US claimed
EP-0225503-B1 RESOLUTION SYSTEM YEDA RESEARCH AND DEVELOPMENT COMPANY LIMITED (IL) 1989-08-02 EP claimed
EP-0225503-A1 Resolution system YEDA RESEARCH AND DEVELOPMENT COMPANY LIMITED (IL) 1987-06-16 EP claimed