SCHEMBL9020689

SCHEMBL9020689

C=CCOC(=O)N1CC(C[C@@H]2C[C@H](SC(c3ccccc3)(c3ccccc3)c3ccccc3)CN2C(=O)OCC=C)CC1C(=O)NC

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.34
CHRM1 P11229 1/20 0.33
POLB P06746 1/20 0.33
FAAH O00519 3/20 0.32
PLA2G4A P47712 2/20 0.31
PLA2G6 O60733 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
RAB9A P51151 1/20 0.30
HTRA1 Q92743 1/20 0.30
MGLL Q99685 1/20 0.30
TGM2 P21980 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
SCHEMBL9020693 1.00 CYP19A1 (0.34) CYP19A1CHRM1POLBFAAHPLA2G4A
SCHEMBL9020540 0.91 CHRM1 (0.34) CYP19A1CHRM1FAAHPLA2G4APLA2G6
SCHEMBL9020538 0.91 CHRM1 (0.34) CYP19A1CHRM1FAAHPLA2G4APLA2G6
SCHEMBL9020455 0.89 CHRM1 (0.33) CYP19A1CHRM1FAAHPLA2G4APLA2G6
SCHEMBL9020448 0.89 CHRM1 (0.33) CYP19A1CHRM1FAAHPLA2G4APLA2G6
SCHEMBL9020118 0.88 CYP19A1 (0.33) CYP19A1CHRM1FAAHLMNAMAPK1
SCHEMBL9020110 0.88 CYP19A1 (0.33) CYP19A1CHRM1FAAHLMNAMAPK1
SCHEMBL9020462 0.86 CHRM1 (0.34) CYP19A1CHRM1FAAHPLA2G4APLA2G6
SCHEMBL9020459 0.86 CHRM1 (0.34) CYP19A1CHRM1FAAHPLA2G4APLA2G6
SCHEMBL9020606 0.81 RAB9A (0.38) CHRM1FAAHSIGMAR1LMNAMAPK1

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 5 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
US-5374720-A A thienamycins bactericides has nontoxic, side effect reduction against the kidney and central nervous system BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-12-20 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