SCHEMBL9121007

SCHEMBL9121007

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
MAPT P10636 3/20 0.40
RAB9A P51151 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
PRCP P42785 1/20 0.40
TGM2 P21980 1/20 0.39
TLR2 O60603 1/20 0.39
TLR1 Q15399 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
PTPN1 P18031 1/20 0.38
ALDH1A1 P00352 2/20 0.37
ATM Q13315 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 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
SCHEMBL9121235 0.97 DPP8 (0.44) DPP8DPP9MAPTRAB9ACYP3A4
SCHEMBL9121572 0.96 DPP8 (0.44) DPP8DPP9MAPTRAB9ACYP3A4
SCHEMBL9038821 0.87 MAPT (0.41) DPP8DPP9MAPTRAB9ACYP3A4
SCHEMBL9042270 0.87 MAPT (0.43) DPP8DPP9MAPTRAB9ACYP3A4
SCHEMBL9202870 0.85 DPP8 (0.40) DPP8DPP9MAPTRAB9ACYP3A4
SCHEMBL9574263 0.85 MAPT (0.40) DPP8DPP9MAPTRAB9ACYP3A4
SCHEMBL9727854 0.85 ALDH1A1 (0.42) MAPTTDP1ALDH1A1ATMHPGD
SCHEMBL9208262 0.85 ALDH1A1 (0.42) MAPTTDP1ALDH1A1ATMHPGD
SCHEMBL9040077 0.84 KMT2A (0.42) DPP8DPP9MAPTRAB9ACYP3A4
SCHEMBL9118872 0.84 HTR2A (0.39) DPP8DPP9MAPTTDP1ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5463046-A 1-β-methyl-2-thiolic carbapenem derivatives DONG KOOK PHARMACEUTICAL CO., LTD. (KR) 1995-10-31 US disclosed