SCHEMBL9717641

SCHEMBL9717641

CC/C(=C/c1ccc(OCCCC(=O)NCC(=O)O)c(Cl)c1Cl)[N+](=O)[O-].[NaH]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.41
TSHR P16473 2/20 0.41
TP53 P04637 3/20 0.38
MAPK1 P28482 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 6/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
MAPT P10636 5/20 0.35
KDM4E B2RXH2 2/20 0.35
ALOX15 P16050 2/20 0.35
CYP3A4 P08684 2/20 0.35
RECQL P46063 2/20 0.35
POLB P06746 2/20 0.35
FAAH O00519 1/20 0.35
USP2 O75604 1/20 0.35
APEX1 P27695 1/20 0.35
BLM P54132 1/20 0.35

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
SCHEMBL10661025 1.00 HPGD (0.41) HPGDTSHRTP53MAPK1L3MBTL1
SCHEMBL9717489 0.99 HPGD (0.42) HPGDTSHRTP53MAPK1L3MBTL1
SCHEMBL9717493 0.99 HPGD (0.42) HPGDTSHRTP53MAPK1L3MBTL1
SCHEMBL9717599 0.99 HPGD (0.42) HPGDTSHRTP53MAPK1L3MBTL1
SCHEMBL10661013 0.98 HPGD (0.41) HPGDTSHRTP53MAPK1L3MBTL1
SCHEMBL9717597 0.96 HPGD (0.39) HPGDTSHRTP53MAPK1L3MBTL1
SCHEMBL9717605 0.96 HPGD (0.39) HPGDTSHRTP53MAPK1L3MBTL1
SCHEMBL9717602 0.96 HPGD (0.39) HPGDTSHRTP53MAPK1L3MBTL1
SCHEMBL9717570 0.95 MEN1 (0.38) HPGDTSHRTP53MAPK1L3MBTL1
SCHEMBL9717573 0.95 MEN1 (0.38) HPGDTSHRTP53MAPK1L3MBTL1

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