SCHEMBL11118031

SCHEMBL11118031

O=C1C=C(c2ccc(OCc3ccccc3)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 2/20 0.58
LMNA P02545 2/20 0.50
CYP1A2 P05177 1/20 0.50
PTGS1 P23219 1/20 0.50
SLC6A2 P23975 1/20 0.50
CYP2C19 P33261 1/20 0.50
PTGS2 P35354 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HIF1A Q16665 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
NR4A1 P22736 1/20 0.49
NR4A2 P43354 1/20 0.49
NR4A3 Q92570 1/20 0.49
MAOB P27338 6/20 0.49
MAOA P21397 3/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL197017 0.77 LMNA (0.72) GSTP1LMNACYP1A2PTGS1SLC6A2
SCHEMBL11112000 0.77 L3MBTL1 (0.52) LMNAMAPTSMN1; SMN2L3MBTL1MCL1
SCHEMBL9492793 0.77 LMNA (0.56) GSTP1LMNACYP1A2PTGS1SLC6A2
SCHEMBL23483029 0.75 LMNA (0.69) GSTP1LMNACYP1A2PTGS1SLC6A2
SCHEMBL1096817 0.75 LMNA (0.69) GSTP1LMNACYP1A2PTGS1SLC6A2
SCHEMBL731336 0.75 NPC1 (0.50) LMNAMAOBMAOAMAPTRAB9A
SCHEMBL339813 0.75 LMNA (0.82) GSTP1LMNACYP1A2PTGS1SLC6A2
SCHEMBL27367676 0.75 LMNA (0.82) GSTP1LMNACYP1A2PTGS1SLC6A2
SCHEMBL9609521 0.75 HTT (0.56) GSTP1LMNACYP1A2PTGS1SLC6A2
Benzylphenylether SCHEMBL28285060 0.73 LMNA (0.65) GSTP1LMNACYP1A2PTGS1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0037062-B1 SUBSTITUTED 3-ARYL-2-CYCLOALKENE-1-ONES, PROCESS FOR THEIR PREPARATION AND THEIR PARMACEUTICAL USE Beiersdorf Aktiengesellschaft (DE) 1984-10-17 EP disclosed
US-4401831-A ADRENOLYTIC AND HYPOTENSIVE AGENTS BEIERSDORF AKTIENGESELLSCHAFT (DE) 1983-08-30 US disclosed
US-4358460-A HYPOTENSIVE, ANTIARRHYTHMIA, ANGINA PECTORIS BEIERSDORF AKTIENGESELLSCHAFT (DE) 1982-11-09 US disclosed
EP-0037062-A2 Substituted 3-aryl-2-cycloalkene-1-ones, process for their preparation and their parmaceutical use Beiersdorf Aktiengesellschaft (DE) 1981-10-07 EP disclosed