SCHEMBL8546557

SCHEMBL8546557

O=C(NCc1ccc(OCCCCCOc2ccc(CNC(=O)NOCc3ccccc3)cc2)cc1)NOCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
TSHR P16473 2/20 0.51
RECQL P46063 1/20 0.51
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
ITGB3 P05106 4/20 0.47
ITGA2B P08514 4/20 0.47
KDM1A O60341 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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 0.86 HPGD (0.57) LMNANPC1RAB9AHTTSMN1; SMN2
SCHEMBL27537790 0.86 NPC1 (0.59) TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL8550262 0.83 NPC1 (0.53) TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL8549654 0.83 CARM1 (0.51) LMNANPC1RAB9AHTTSMN1; SMN2
SCHEMBL8549404 0.83 HTR2C (0.49) LMNANPC1RAB9A
SCHEMBL8546499 0.81 HPGD (0.51) LMNAHTTSMN1; SMN2
SCHEMBL8549624 0.79 HPGD (0.49) NPC1RAB9ASMN1; SMN2
SCHEMBL8550343 0.76 HSD17B10 (0.46) LMNATSHR
SCHEMBL1990363 0.74 NPC1 (0.69) NPC1RAB9A
SCHEMBL24011467 0.74 CASR (0.62) LMNATSHRNPC1RAB9A

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