SCHEMBL7276161

SCHEMBL7276161

CCCCOCCCCCOc1cc[c]cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.55
LTA4H P09960 5/20 0.49
TP53 P04637 2/20 0.49
TSHR P16473 1/20 0.49
PLA2G4B P0C869 3/20 0.47
RARB P10826 3/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
CASP1 P29466 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SLCO1B3 Q9NPD5 1/20 0.46
SLCO1B1 Q9Y6L6 1/20 0.46
NPC1 O15118 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL7861362 1.00 NR5A1 (0.55) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL991126 0.98 NR5A1 (0.52) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL991315 0.93 NR5A1 (0.51) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL991829 0.93 RARB (0.54) NR5A1LTA4HTSHRRARBLMNA
SCHEMBL263776 0.90 NR5A1 (0.60) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL987954 0.90 NR5A1 (0.60) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL309133 0.90 NR5A1 (0.60) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL9121701 0.90 NR5A1 (0.60) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL338316 0.90 NR5A1 (0.60) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL77477 0.90 NR5A1 (0.60) NR5A1LTA4HTP53TSHRPLA2G4B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5137889-A Hypotensive agents; coronary vasodilators; calcium antagonists; antiinflammatory agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-08-11 US disclosed
US-5034395-A Hypotensive agents, carboxylated dihydropyridines OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-07-23 US disclosed
US-4795814-A CORONARY VASODILATORS, HYPOTENSIVE AGENTS, ANTIINFLAMMATORY AGENTS, ANTITUMOR AGENTTS, ENZYME INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-01-03 US disclosed
EP-0173126-A1 Process for preparing novel dihydropyridine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-03-05 EP disclosed
EP-0145434-A2 Novel dihydropyridine derivatives and process for preparing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1985-06-19 EP disclosed