SCHEMBL9121002

SCHEMBL9121002

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 1/20 0.41
LMNA P02545 1/20 0.39
MCL1 Q07820 5/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
HTR2A P28223 1/20 0.36
BCL2 P10415 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 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
SCHEMBL9120254 1.00 CTRB1 (0.41) CTRB1LMNAMCL1ALDH1A1MAPT
SCHEMBL9119658 0.91 CTRB1 (0.40) CTRB1LMNAMCL1ALDH1A1MAPT
SCHEMBL9119879 0.91 CTRB1 (0.40) CTRB1LMNAMCL1ALDH1A1MAPT
SCHEMBL9241436 0.91 CTRB1 (0.40) CTRB1LMNAMCL1ALDH1A1MAPT
SCHEMBL21866174 0.89 KMT2A (0.40) CTRB1MCL1ALDH1A1MAPTHPGD
SCHEMBL9208262 0.85 ALDH1A1 (0.42) ALDH1A1MAPTHPGDTDP1POLB
SCHEMBL9727854 0.85 ALDH1A1 (0.42) ALDH1A1MAPTHPGDTDP1POLB
SCHEMBL9118887 0.84 KMT2A (0.39) LMNAALDH1A1MAPTHPGDTDP1
SCHEMBL9118882 0.84 KMT2A (0.39) LMNAALDH1A1MAPTHPGDTDP1
SCHEMBL10362668 0.81 MMP2 (0.49) ALDH1A1MAPTHPGDTDP1L3MBTL1

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