SCHEMBL7722098

SCHEMBL7722098

CC(C)(C)OC(=O)NCC(=O)NC1C[C@@H](C(=O)N2CCC(Oc3cc(Cl)cc(Cl)c3)CC2)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STS P08842 2/20 0.37
ALDH1A1 P00352 1/20 0.35
TGM2 P21980 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
S1PR3 Q99500 1/20 0.34
GPR119 Q8TDV5 3/20 0.34
NPBWR1 P48145 1/20 0.34
MCHR1 Q99705 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34

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
SCHEMBL7722247 1.00 STS (0.37) STSALDH1A1TGM2CTSLCTSB
SCHEMBL7722091 1.00 STS (0.37) STSALDH1A1TGM2CTSLCTSB
SCHEMBL7722100 1.00 STS (0.37) STSALDH1A1TGM2CTSLCTSB
SCHEMBL7730651 0.86 NPBWR1 (0.41) ALDH1A1TGM2CTSLCTSBCTSS
SCHEMBL7730638 0.86 NPBWR1 (0.41) ALDH1A1TGM2CTSLCTSBCTSS
SCHEMBL7730647 0.86 NPBWR1 (0.41) ALDH1A1TGM2CTSLCTSBCTSS
SCHEMBL7730983 0.83 MCL1 (0.45)
SCHEMBL7730972 0.83 MCL1 (0.45)
SCHEMBL7730981 0.83 MCL1 (0.45)
SCHEMBL7730706 0.81 SMN1; SMN2 (0.47) ALDH1A1TGM2HSD17B10

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-6399629-B1 PYRROLIDINES AND PIPERIDINES FOR TREATING MICROBIAL INFECTIONS BY REDUCING EXPORT OF COADMINISTERED ANTIMICROBIAL AGENT OR COMPOUND SYNTHESIZED BY MICROBES FOR THEIR GROWTH; REDUCING IN VIVO AVAILABILITY MICROCIDE PHARMACEUTICALS, INC. 2002-06-04 US disclosed