SCHEMBL5693171

SCHEMBL5693171

CCCO[C@@H](C=Cc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
AKR1B10 O60218 3/20 0.44
AKR1B1 P15121 3/20 0.44
CA12 O43570 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
ALDH1A1 P00352 5/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
MAPK1 P28482 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
ADORA3 P0DMS8 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
CNR2 P34972 1/20 0.41
HCAR2 Q8TDS4 1/20 0.39

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
SCHEMBL3073240 0.85 POLB (0.43) LMNAALDH1A1L3MBTL1TDP1ADORA3
SCHEMBL3072451 0.83 CYP1A2 (0.46) LMNAL3MBTL1TDP1CNR2KMT2A
SCHEMBL3072447 0.83 CYP1A2 (0.46) LMNAL3MBTL1TDP1CNR2KMT2A
SCHEMBL5693245 0.83 CYP1A2 (0.46) LMNAL3MBTL1TDP1CNR2KMT2A
SCHEMBL3053051 0.83 CYP1A2 (0.46) LMNAL3MBTL1TDP1CNR2KMT2A
SCHEMBL3053052 0.83 CYP1A2 (0.46) LMNAL3MBTL1TDP1CNR2KMT2A
SCHEMBL3063635 0.80 LMNA (0.54) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL9345204 0.78 LMNA (0.52) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL11543059 0.75 LMNA (0.55) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL22487746 0.75 ALDH1A1 (0.50) LMNAALDH1A1L3MBTL1MAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1658260-A1 BUTENOIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND USE FOR THE TREATMENT OF DYSLIPIDAEMIA, ATHEROSCLEROSIS AND DIABETES Merk Patent Gmbh (DE) 2006-05-24 EP claimed
WO-2005014521-A1 BUTENOIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND USE FOR THE TREATMENT OF DYSLIPIDAEMIA, ATHEROSCLEROSIS AND DIABETES MERK PATENT GMBH (DE) 2005-02-17 WO claimed