SCHEMBL8550343

SCHEMBL8550343

O=C(NCc1ccc(OC2CCCC(Oc3ccc(CNC(=O)NOCc4ccccc4)cc3)C2)cc1)NOCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
HPGD P15428 3/20 0.44
EPHX1 P07099 1/20 0.44
ALDH1A1 P00352 2/20 0.44
USP2 O75604 1/20 0.44
F2 P00734 2/20 0.43
EPHX2 P34913 2/20 0.43
PRSS1 P07477 1/20 0.43
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
FFAR4 Q5NUL3 5/20 0.42
MAPK1 P28482 1/20 0.41
P2RX7 Q99572 1/20 0.41
TSHR P16473 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
SCHEMBL8547013 0.80 HPGD (0.57) HPGDEPHX1LMNA
SCHEMBL8550262 0.80 NPC1 (0.53) EPHX1ALDH1A1EPHX2TSHR
SCHEMBL27537790 0.80 NPC1 (0.59) EPHX1ALDH1A1EPHX2L3MBTL1TSHR
SCHEMBL8549404 0.79 HTR2C (0.49) HTR2CHTR2BHPGDEPHX1LMNA
SCHEMBL8549654 0.77 CARM1 (0.51) HPGDALDH1A1LMNAL3MBTL1
SCHEMBL8546557 0.76 LMNA (0.53) LMNATSHR
SCHEMBL8546499 0.75 HPGD (0.51) HPGDALDH1A1LMNAFFAR4
SCHEMBL8550341 0.74 FURIN (0.44) FFAR4
SCHEMBL250809 0.73 ALDH1A1 (0.61) HSD17B10ALDH1A1TSHR
SCHEMBL8549624 0.73 HPGD (0.49) HPGD

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
EP-0696585-B1 NOVEL BISOXADIAZOLIDINE DERIVATIVE YAMANOUCHI PHARMA CO LTD (JP) 1998-12-16 EP disclosed
US-5643931-A ANTIDIABETIC AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1997-07-01 US disclosed
EP-0696585-A1 NOVEL BISOXADIAZOLIDINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-02-14 EP disclosed