SCHEMBL8780442

SCHEMBL8780442

CCCCC(=O)C(Cc1ccc(C(=O)O)cc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
UBE2N P61088 1/20 0.53
LTB4R2 Q9NPC1 1/20 0.47
RARB P10826 6/20 0.47
EPHX1 P07099 1/20 0.45
ADRB1 P08588 1/20 0.45
ADRB3 P13945 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
RARA P10276 1/20 0.44
MAPT P10636 1/20 0.44
MTOR P42345 1/20 0.44
KMT2A Q03164 1/20 0.44
CHRM1 P11229 2/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL9119849 0.87 UBE2N (0.49) UBE2NEPHX1ALDH1A1MEN1MAPT
SCHEMBL8780446 0.83 UBE2N (0.50) UBE2NLTB4R2EPHX1CHRM1HSD17B10
SCHEMBL4801536 0.82 UBE2N (0.56) UBE2NEPHX1CHRM1
SCHEMBL4805977 0.80 UBE2N (0.53) UBE2NEPHX1ALDH1A1CHRM1
SCHEMBL4804049 0.80 UBE2N (0.53) UBE2NEPHX1ALDH1A1CHRM1
SCHEMBL4799006 0.80 UBE2N (0.59) UBE2NEPHX1CHRM1
SCHEMBL1296553 0.79 EPHX1 (0.56) UBE2NEPHX1ADRB1ADRB3ALDH1A1
SCHEMBL3632556 0.79 LMNA (0.50) UBE2NALDH1A1MEN1KMT2ACES2
SCHEMBL4800161 0.78 UBE2N (0.57) UBE2NEPHX1CHRM1
SCHEMBL9577453 0.76 EPHX1 (0.53) UBE2NEPHX1ADRB1ADRB3ALDH1A1

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-0498722-B1 Bicyclic nitrogen compounds, their preparation, intermediates obtained, their use as pharmaceuticals and pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1997-07-30 EP disclosed
US-5478938-A Antagonists for angiotensin II receptors; hypotensive, cardiotonic agents; cognitive activators ROUSSEL UCLAF (FR) 1995-12-26 US disclosed
WO-1995026206-A1 METHOD FOR PREPARING RADIONUCLIDE-LABELED CHELATING AGENT-LIGAND COMPLEXES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1995-10-05 WO disclosed
US-5324839-A Hypotensive agents, gastrointestinal and urogenital disorders ROUSSEL-UCLAF (FR) 1994-06-28 US disclosed
EP-0498722-A1 Bicyclic nitrogen compounds, their preparation, intermediates obtained, their use as pharmaceuticals and pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1992-08-12 EP disclosed