SCHEMBL9020989

SCHEMBL9020989

O=C1CC([C@@H]2C[C@H](S)CN2C(=O)OCc2ccc([N+](=O)[O-])cc2)CN1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
RAB9A P51151 2/20 0.41
ATM Q13315 1/20 0.41
NPC1 O15118 1/20 0.41
CCR5 P51681 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL9020353 1.00 ALDH1A1 (0.43) ALDH1A1MAPTHPGDTDP1RAB9A
SCHEMBL9020356 0.90 ALDH1A1 (0.43) ALDH1A1MAPTHPGDTDP1RAB9A
SCHEMBL9399415 0.87 ALDH1A1 (0.42) ALDH1A1MAPTHPGDTDP1RAB9A
SCHEMBL9020407 0.86 ALDH1A1 (0.41) ALDH1A1MAPTHPGDTDP1RAB9A
SCHEMBL9020195 0.86 ALDH1A1 (0.41) ALDH1A1MAPTHPGDTDP1RAB9A
SCHEMBL9020650 0.85 TDP1 (0.44) ALDH1A1MAPTHPGDTDP1RAB9A
SCHEMBL9020521 0.85 ALDH1A1 (0.41) ALDH1A1MAPTHPGDTDP1RAB9A
SCHEMBL9399827 0.84 ALDH1A1 (0.45) ALDH1A1MAPTHPGDTDP1RAB9A
SCHEMBL9399264 0.83 ALDH1A1 (0.39) ALDH1A1MAPTHPGDTDP1RAB9A
SCHEMBL9020154 0.83 ALDH1A1 (0.41) ALDH1A1MAPTHPGDTDP1RAB9A

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