SCHEMBL9048573

SCHEMBL9048573

O=C(O)C(=Cc1ccccc1)CC(=O)N1CCC2CCCCC2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
SMN1; SMN2 Q16637 6/20 0.40
ALDH1A1 P00352 6/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 4/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TACR3 P29371 1/20 0.37
TP53 P04637 1/20 0.37
F13A1 P00488 1/20 0.37
TGM2 P21980 1/20 0.37
TGM1 P22735 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
SCHEMBL27745842 1.00 CYP3A4 (0.40) CYP3A4CYP2C9SMN1; SMN2ALDH1A1NPC1
SCHEMBL9048563 1.00 CYP3A4 (0.40) CYP3A4CYP2C9SMN1; SMN2ALDH1A1NPC1
SCHEMBL9048580 1.00 CYP3A4 (0.40) CYP3A4CYP2C9SMN1; SMN2ALDH1A1NPC1
SCHEMBL27745843 1.00 CYP3A4 (0.40) CYP3A4CYP2C9SMN1; SMN2ALDH1A1NPC1
SCHEMBL4456248 0.92 CYP3A4 (0.44) CYP3A4CYP2C9SMN1; SMN2ALDH1A1NPC1
SCHEMBL8170512 0.92 CYP3A4 (0.44) CYP3A4CYP2C9SMN1; SMN2ALDH1A1NPC1
SCHEMBL4454947 0.92 CYP3A4 (0.44) CYP3A4CYP2C9SMN1; SMN2ALDH1A1NPC1
SCHEMBL2861462 0.92 CYP3A4 (0.44) CYP3A4CYP2C9SMN1; SMN2ALDH1A1NPC1
SCHEMBL4456242 0.92 CYP3A4 (0.44) CYP3A4CYP2C9SMN1; SMN2ALDH1A1NPC1
SCHEMBL4454944 0.92 CYP3A4 (0.44) CYP3A4CYP2C9SMN1; SMN2ALDH1A1NPC1

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-0507534-B1 Succinic acid compounds KISSEI PHARMACEUTICAL (JP) 1996-02-28 EP claimed
EP-0507534-B1 Succinic acid compounds KISSEI PHARMACEUTICAL (JP) 1996-02-28 EP disclosed
US-5202335-A Hypoglycemic, antidiabetic agents KISSEI PHARMACEUTICAL CO., LTD. (JP) 1993-04-13 US disclosed
EP-0507534-A1 Succinic acid compounds KISSEI PHARMACEUTICAL CO., LTD. (JP) 1992-10-07 EP disclosed