SCHEMBL9718940

SCHEMBL9718940

C/C(=C/c1ccc(OCCC(=O)O)c(Cl)c1Cl)[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.39
FBP1 P09467 1/20 0.38
ALDH1A1 P00352 4/20 0.38
RAB9A P51151 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 2/20 0.38
MAPK1 P28482 2/20 0.38
S1PR4 O95977 1/20 0.38
S1PR1 P21453 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GPR35 Q9HC97 1/20 0.38
MCL1 Q07820 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.36
FFAR4 Q5NUL3 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PPARG P37231 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34

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
SCHEMBL9718936 1.00 LMNA (0.39) LMNAFBP1ALDH1A1RAB9ANPSR1
SCHEMBL9718943 1.00 LMNA (0.39) LMNAFBP1ALDH1A1RAB9ANPSR1
SCHEMBL9717559 0.88 LMNA (0.39) LMNAFBP1ALDH1A1RAB9ANPSR1
SCHEMBL9717566 0.88 LMNA (0.39) LMNAFBP1ALDH1A1RAB9ANPSR1
SCHEMBL9717532 0.82 FFAR4 (0.41) LMNAFBP1ALDH1A1RAB9ANPSR1
SCHEMBL9717519 0.82 FFAR4 (0.41) LMNAFBP1ALDH1A1RAB9ANPSR1
SCHEMBL9717525 0.82 FFAR4 (0.41) LMNAFBP1ALDH1A1RAB9ANPSR1
SCHEMBL9717590 0.81 CYSLTR2 (0.40) LMNAFBP1ALDH1A1RAB9ANPSR1
SCHEMBL9717589 0.81 CYSLTR2 (0.40) LMNAFBP1ALDH1A1RAB9ANPSR1
SCHEMBL9717583 0.81 CYSLTR2 (0.40) LMNAFBP1ALDH1A1RAB9ANPSR1

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
EP-0240256-B1 COMPOUNDS USEFUL IN TREATING SICKLE CELL ANEMIA MERCK & CO. INC. (US) 1992-04-29 EP disclosed
US-4751244-A NITROALKENYL CARBOXYLIC ACIDS MERCK & CO., INC. (US) 1988-06-14 US disclosed
EP-0240256-A2 Compounds useful in treating sickle cell anemia MERCK & CO. INC. (US) 1987-10-07 EP disclosed