SCHEMBL9020540

SCHEMBL9020540

C=CCOC(=O)N1C[C@@H](SC(c2ccccc2)(c2ccccc2)c2ccccc2)C[C@H]1CC1C[C@@H](C(=O)O)N(C(=O)OCC=C)C1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.34
AGTR2 P50052 9/20 0.33
CYP19A1 P11511 1/20 0.33
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
FAAH O00519 2/20 0.32
PLA2G4A P47712 2/20 0.31
PLA2G6 O60733 1/20 0.31
ACE P12821 1/20 0.31
KMT2A Q03164 1/20 0.31
MGLL Q99685 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
SCHEMBL9020538 1.00 CHRM1 (0.34) CHRM1AGTR2CYP19A1LMNAMAPK1
SCHEMBL9020448 0.93 CHRM1 (0.33) CHRM1CYP19A1LMNAMAPK1RAB9A
SCHEMBL9020455 0.93 CHRM1 (0.33) CHRM1CYP19A1LMNAMAPK1RAB9A
SCHEMBL9020689 0.91 CYP19A1 (0.34) CHRM1CYP19A1LMNAMAPK1RAB9A
SCHEMBL9020693 0.91 CYP19A1 (0.34) CHRM1CYP19A1LMNAMAPK1RAB9A
SCHEMBL9020118 0.91 CYP19A1 (0.33) CHRM1CYP19A1LMNAMAPK1RAB9A
SCHEMBL9020110 0.91 CYP19A1 (0.33) CHRM1CYP19A1LMNAMAPK1RAB9A
SCHEMBL9020459 0.90 CHRM1 (0.34) CHRM1CYP19A1LMNAMAPK1RAB9A
SCHEMBL9020462 0.90 CHRM1 (0.34) CHRM1CYP19A1LMNAMAPK1RAB9A
SCHEMBL9020606 0.85 RAB9A (0.38) 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 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