SCHEMBL8435987

SCHEMBL8435987

CN1C[C@@H](S)C[C@H]1C(=O)N1CCC(NC(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.44
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
EPHX1 P07099 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EPHX2 P34913 1/20 0.39
SIGMAR1 Q99720 2/20 0.38
ATM Q13315 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 2/20 0.36
MMP2 P08253 1/20 0.36
ANPEP P15144 1/20 0.36
DRD4 P21917 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
SCHEMBL8435984 1.00 HSD11B1 (0.44) HSD11B1DPP8DPP9EPHX1CTSL
SCHEMBL8439220 0.93 DPP8 (0.43) DPP8DPP9EPHX1PKMHTT
SCHEMBL8576939 0.91 HSD11B1 (0.45) HSD11B1DPP8DPP9EPHX1CTSL
SCHEMBL8440242 0.89 ALDH1A1 (0.37) DPP8DPP9EPHX2SIGMAR1ATM
SCHEMBL8436720 0.89 HSD11B1 (0.45) HSD11B1DPP8DPP9EPHX1CTSL
SCHEMBL28804781 0.89 HSD11B1 (0.45) HSD11B1DPP8DPP9EPHX1CTSL
SCHEMBL22406792 0.89 HSD11B1 (0.45) HSD11B1DPP8DPP9EPHX1CTSL
SCHEMBL8441215 0.89 HSD11B1 (0.45) HSD11B1DPP8DPP9EPHX1CTSL
SCHEMBL8436718 0.89 HSD11B1 (0.45) HSD11B1DPP8DPP9EPHX1CTSL
SCHEMBL28804784 0.89 HSD11B1 (0.45) HSD11B1DPP8DPP9EPHX1CTSL

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
US-5866564-A STABILITY SANKYO COMPANY, LIMITED (JP) 1999-02-02 US disclosed
US-5614624-A THIO SUBSTITUTED, ANTIBIOTICS, CHEMICAL INTERMEDIATES SANKYO COMPANY, LIMITED (JP) 1997-03-25 US disclosed
US-5541317-A PENICILLIN DERIVATIVES, CYCLIZATION OF ESTERS OR THIOESTERS SANKYO COMPANY, LIMITED (JP) 1996-07-30 US disclosed