SCHEMBL9717602

SCHEMBL9717602

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
ALDH1A1 P00352 4/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 2/20 0.35
MAPK1 P28482 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 4/20 0.35
FAAH O00519 3/20 0.35
RECQL P46063 2/20 0.35
CYP3A4 P08684 2/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35
ALOX15 P16050 1/20 0.35
APEX1 P27695 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 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
SCHEMBL9717597 1.00 HPGD (0.39) HPGDTSHRMEN1KMT2AALDH1A1
SCHEMBL9717605 1.00 HPGD (0.39) HPGDTSHRMEN1KMT2AALDH1A1
SCHEMBL9717570 0.99 MEN1 (0.38) HPGDTSHRMEN1KMT2AALDH1A1
SCHEMBL9717573 0.99 MEN1 (0.38) HPGDTSHRMEN1KMT2AALDH1A1
SCHEMBL9717576 0.99 MEN1 (0.38) HPGDTSHRMEN1KMT2AALDH1A1
SCHEMBL9717489 0.97 HPGD (0.42) HPGDTSHRMEN1KMT2AALDH1A1
SCHEMBL9717599 0.97 HPGD (0.42) HPGDTSHRMEN1KMT2AALDH1A1
SCHEMBL9717493 0.97 HPGD (0.42) HPGDTSHRMEN1KMT2AALDH1A1
SCHEMBL9717641 0.96 HPGD (0.41) HPGDTSHRMEN1KMT2AALDH1A1
SCHEMBL10661013 0.96 HPGD (0.41) HPGDTSHRMEN1KMT2AALDH1A1

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