SCHEMBL7861468

SCHEMBL7861468

CC(=O)S[C@H]1C[C@@H](C(O)c2ccccc2)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTR2A P28223 1/20 0.39
RAB9A P51151 1/20 0.37
CCR5 P51681 5/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL7859221 0.90 ATM (0.38) ATMTDP1HTR2AALDH1A1MAPT
SCHEMBL7860707 0.88 DPP8 (0.40) ATMALDH1A1MAPTHPGD
SCHEMBL8583297 0.88 DPP8 (0.40) ATMALDH1A1MAPTHPGD
SCHEMBL7858354 0.86 DPP8 (0.37) ATMTDP1ALDH1A1MAPTHPGD
SCHEMBL7858359 0.86 DPP8 (0.38) ATMALDH1A1MAPTHPGD
SCHEMBL7804746 0.84 ALDH1A1 (0.39) ATMTDP1HTR2ACCR5ALDH1A1
SCHEMBL7799275 0.84 ALDH1A1 (0.39) ATMTDP1HTR2ACCR5ALDH1A1
SCHEMBL7860059 0.83 ATM (0.46) ATMTDP1RAB9ACCR5ALDH1A1
SCHEMBL10520181 0.82 ALDH1A1 (0.36) ATMTDP1HTR2ACCR5ALDH1A1
SCHEMBL9728021 0.82 ATM (0.43) ATMTDP1HTR2ARAB9AALDH1A1

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-0747381-B1 CARBAPENEM DERIVATIVE BANYU PHARMA CO LTD (JP) 2001-10-31 EP disclosed
US-5707987-A BACTERICIDE ANTIBIOTICS BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-01-13 US disclosed
EP-0747381-A1 CARBAPENEM DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-12-11 EP disclosed