SCHEMBL7804672

SCHEMBL7804672

CC(=O)S[C@H]1C[C@@H](C(O)C2CCN(C(=O)OCc3ccc([N+](=O)[O-])cc3)CC2)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
HTR2A P28223 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
ATM Q13315 1/20 0.35
HPGD P15428 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KCNJ1 P48048 1/20 0.35
KCNH2 Q12809 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
SCHEMBL7799332 0.96 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1MAPTLMNAKDM4E
SCHEMBL7804746 0.92 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1MAPTLMNAHTR2A
SCHEMBL7799275 0.92 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1MAPTLMNAHTR2A
SCHEMBL7805781 0.91 DPP8 (0.38) SMN1; SMN2ALDH1A1MAPTLMNAHTR2A
SCHEMBL7805751 0.86 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MAPTLMNAKDM4E
SCHEMBL9020004 0.84 CCR5 (0.41) SMN1; SMN2ALDH1A1MAPTLMNAKDM4E
SCHEMBL9020729 0.82 CCR5 (0.42) SMN1; SMN2ALDH1A1MAPTLMNAKDM4E
SCHEMBL7861468 0.82 ATM (0.42) ALDH1A1MAPTHTR2AATMHPGD
SCHEMBL7804686 0.81 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1MAPTLMNAKDM4E
SCHEMBL8098059 0.81 CCR5 (0.35) ALDH1A1MAPTHTR2AATMHPGD

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
EP-0773222-B1 CARBAPENEM DERIVATIVE EISAI CO LTD (JP) 2001-10-04 EP disclosed
US-6037341-A HAVING POTENT ANTIMICROBIAL EFFECTS OVER GRAM-POSITIVE BACTERIA AND GRAM-NEGATIVE BACTERIA EISAI CO., LTD. (JP) 2000-03-14 US disclosed
EP-0773222-A1 NOVEL CARBAPENEM DERIVATIVE Eisai Co., Ltd. (JP) 1997-05-14 EP disclosed