SCHEMBL9150472

SCHEMBL9150472

CCCCCCCCCCCCC(=O)c1cc(C(=O)OCC)c[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
ALOX15 P16050 4/20 0.45
BAZ2B Q9UIF8 1/20 0.44
BAZ2A Q9UIF9 1/20 0.44
ESR1 P03372 2/20 0.43
NR4A1 P22736 1/20 0.41
HSD17B3 P37058 5/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
AKR1C4 P17516 1/20 0.40

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
SCHEMBL9150821 1.00 LMNA (0.48) LMNAMAPK1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL9517009 0.89 BAZ2B (0.51) LMNAMAPK1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL5859454 0.89 BAZ2B (0.51) LMNAMAPK1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL5858863 0.89 BAZ2B (0.51) LMNAMAPK1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL5858212 0.87 BAZ2B (0.52) LMNAMAPK1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL2518047 0.80 BAZ2B (0.56) LMNASMN1; SMN2ALDH1A1MAPTBAZ2B
SCHEMBL6198697 0.80 BAZ2B (0.49) LMNAALDH1A1BAZ2BBAZ2AESR1
SCHEMBL9151585 0.79 BAZ2B (0.68) LMNAALDH1A1HTTBAZ2BBAZ2A
SCHEMBL9147964 0.79 BAZ2B (0.68) LMNAALDH1A1HTTBAZ2BBAZ2A
SCHEMBL7965196 0.79 BAZ2B (0.68) LMNAALDH1A1HTTBAZ2BBAZ2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE35096-E Antilipemic, anticholesterol, arteriosclerosis MITSUBISHI CHEMICAL CORPORATION (JP) 1995-11-21 US disclosed
US-5082856-A Hyperlipemia, arteriosclerosis MITSUBISHI KASEI CORPORATION (JP) 1992-01-21 US disclosed
EP-0347902-A2 Pyrrolecarboxylic acid derivatives Mitsubishi Chemical Corporation (JP) 1989-12-27 EP disclosed