SCHEMBL9020459

SCHEMBL9020459

C=CCOC(=O)N1CC(C[C@@H]2C[C@H](SC(c3ccccc3)(c3ccccc3)c3ccccc3)CN2C(=O)OCC=C)CC1CO

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.34
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
FAAH O00519 3/20 0.33
CYP19A1 P11511 1/20 0.32
PLA2G4A P47712 2/20 0.31
PLA2G6 O60733 1/20 0.31
MGLL Q99685 1/20 0.31
SRC P12931 4/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL9020462 1.00 CHRM1 (0.34) CHRM1LMNAMAPK1RAB9AFAAH
SCHEMBL9020169 0.93 CHRM1 (0.38) CHRM1LMNAMAPK1RAB9AFAAH
SCHEMBL9020540 0.90 CHRM1 (0.34) CHRM1LMNAMAPK1RAB9AFAAH
SCHEMBL9020538 0.90 CHRM1 (0.34) CHRM1LMNAMAPK1RAB9AFAAH
SCHEMBL9020448 0.88 CHRM1 (0.33) CHRM1LMNAMAPK1RAB9AFAAH
SCHEMBL9020455 0.88 CHRM1 (0.33) CHRM1LMNAMAPK1RAB9AFAAH
SCHEMBL9020693 0.86 CYP19A1 (0.34) CHRM1LMNAMAPK1RAB9AFAAH
SCHEMBL9020118 0.86 CYP19A1 (0.33) CHRM1LMNAMAPK1RAB9AFAAH
SCHEMBL9020110 0.86 CYP19A1 (0.33) CHRM1LMNAMAPK1RAB9AFAAH
SCHEMBL9020689 0.86 CYP19A1 (0.34) CHRM1LMNAMAPK1RAB9AFAAH

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-0449191-B1 2-(Substituted pyrrolidinylthio)carbapenem derivatives BANYU PHARMA CO LTD (JP) 1996-07-03 EP disclosed
US-5438054-A Antibacterial agent BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-08-01 US disclosed
WO-1991014687-A1 2-(SUBSTITUTED PYRROLIDINYLTHIO)CARBAPENEM DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-10-03 WO disclosed
EP-0449191-A1 2-(Substituted pyrrolidinylthio)carbapenem derivatives Banyu Pharmaceutical Co., Ltd. (JP) 1991-10-02 EP disclosed