SCHEMBL8435951

SCHEMBL8435951

CC(=NC(=O)OCc1ccc([N+](=O)[O-])cc1)NCCNC(=O)[C@@H]1C[C@H](S)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 3/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
MMP2 P08253 1/20 0.35
ANPEP P15144 1/20 0.35
MAOB P27338 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
POLB P06746 1/20 0.35
PRCP P42785 1/20 0.35
HTT P42858 2/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL9574263 0.91 MAPT (0.40) SMN1; SMN2MAPTCYP3A4CYP2C9TSHR
SCHEMBL8439876 0.85 MAPT (0.38) SMN1; SMN2MAPTCYP3A4CYP2C9TSHR
SCHEMBL9121007 0.84 DPP8 (0.43) SMN1; SMN2MAPTCYP3A4CYP2C9TSHR
SCHEMBL8580350 0.83 MMP2 (0.36) MAPTDPP8DPP9ALDH1A1HPGD
SCHEMBL9121235 0.83 DPP8 (0.44) SMN1; SMN2MAPTCYP3A4CYP2C9TSHR
SCHEMBL9208262 0.82 ALDH1A1 (0.42) MAPTALDH1A1HPGDMAOBTDP1
SCHEMBL9727854 0.82 ALDH1A1 (0.42) MAPTALDH1A1HPGDMAOBTDP1
SCHEMBL9121572 0.82 DPP8 (0.44) SMN1; SMN2MAPTCYP3A4CYP2C9TSHR
SCHEMBL9574265 0.81 DPP8 (0.40) MAPTRAB9ADPP8DPP9ALDH1A1
SCHEMBL9120900 0.81 HTR2A (0.39) MAPTDPP8DPP9ALDH1A1HPGD

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
US-5866564-A STABILITY SANKYO COMPANY, LIMITED (JP) 1999-02-02 US disclosed
EP-0518558-B1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics SANKYO CO (JP) 1998-09-02 EP disclosed
US-5712267-A Carbapenem derivatives, their preparation and their use as antibiotics SANKYO COMPANY,. LIMITED (JP) 1998-01-27 US disclosed
EP-0518558-A1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics Sankyo Company Limited (JP) 1992-12-16 EP disclosed