SCHEMBL7444074

SCHEMBL7444074

COC(=O)C(O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.62
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MAOB P27338 1/20 0.55
ALOX5 P09917 1/20 0.54
NR4A1 P22736 1/20 0.54
NR4A2 P43354 1/20 0.54
NR4A3 Q92570 1/20 0.54
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
FFAR1 O14842 1/20 0.53
PRKCA P17252 1/20 0.53
PRKCD Q05655 1/20 0.53
ACACB O00763 1/20 0.53

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
SCHEMBL10603321 1.00 LTA4H (0.62) LTA4HNPC1RAB9ASMN1; SMN2MAOB
SCHEMBL31579489 0.87 LTA4H (0.60) LTA4HNPC1RAB9ASMN1; SMN2MAOB
SCHEMBL5092413 0.86 FFAR1 (0.61) LTA4HMAOBNR4A2ALDH1A1FFAR1
SCHEMBL2840120 0.85 LTA4H (0.59) LTA4HNPC1RAB9ASMN1; SMN2MAOB
SCHEMBL6266373 0.85 LTA4H (0.59) LTA4HNPC1RAB9ASMN1; SMN2MAOB
SCHEMBL9019941 0.85 KMT2A (0.59) LTA4HSMN1; SMN2MAOBALOX5NR4A2
SCHEMBL5884767 0.85 LTA4H (0.58) LTA4HNPC1RAB9ASMN1; SMN2MAOB
SCHEMBL9432429 0.85 KMT2A (0.59) LTA4HSMN1; SMN2MAOBALOX5NR4A2
SCHEMBL5722245 0.84 NR4A1 (0.60) MAOBALOX5NR4A1NR4A2NR4A3
SCHEMBL2848849 0.84 NR4A1 (0.60) MAOBALOX5NR4A1NR4A2NR4A3

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
EP-0623120-A1 PIPERIDINEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1994-11-09 EP disclosed
WO-1993014077-A1 PIPERIDINEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1993-07-22 WO disclosed
EP-0167204-B1 METHOD FOR IMPROVING THE ABSORPTION AND EFFECTIVENESS OF A CATECHOLAMINE COMPOUND SIMES S.p.A. Società Italiana Medicinali e Sintetici (IT) 1989-09-27 EP disclosed
US-4673671-A CONVERSION TO MONO O-PHOSPHATE ESTER SIMES SOCIETA ITALIANA MEDICINALI E SINTETICI S.P.A. (IT) 1987-06-16 US disclosed
EP-0167204-A1 Method for improving the absorption and effectiveness of a catecholamine compound SIMES S.p.A. Società Italiana Medicinali e Sintetici (IT) 1986-01-08 EP disclosed