SCHEMBL8705243

SCHEMBL8705243

COc1cc(C)cc(OC)c1NC(=O)N(CCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 6/20 0.42
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
CYP3A4 P08684 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL8992691 0.81 NPY5R (0.51) L3MBTL1HTTSMN1; SMN2POLBKMT2A
SCHEMBL30503476 0.76 CTSK (0.43) L3MBTL1POLBGAANPC1RAB9A
SCHEMBL8707810 0.75 AAK1 (0.36) LPAR1HTTSMN1; SMN2HPGDKMT2A
Methylamine SCHEMBL8548886 0.75 L3MBTL1 (0.40) L3MBTL1
SCHEMBL5711898 0.74 L3MBTL1 (0.45) L3MBTL1HTTTDP1KMT2AALDH1A1
SCHEMBL8992651 0.73 RAB9A (0.47) L3MBTL1LMNASMN1; SMN2TDP1HPGD
SCHEMBL5526270 0.73 CTSS (0.57)
SCHEMBL6274443 0.72 L3MBTL1 (0.44) L3MBTL1LMNAHTTTDP1POLB
SCHEMBL8129548 0.71 RAB9A (0.45) L3MBTL1LMNASMN1; SMN2TDP1HPGD
SCHEMBL8992582 0.71 RAB9A (0.58) HTTTDP1HPGDKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5731340-A DIETETICS; ANTIDIABETIC AGENTS SANOFI (FR) 1998-03-24 US disclosed