SCHEMBL8038854

SCHEMBL8038854

CCN(CC)C(=O)c1ccccc1S(=O)(=O)C1=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)N2C(=O)C(CCO)[C@@H]2C1C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.38
PLCG1 P19174 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 1/20 0.36
FOLH1 Q04609 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
ELANE P08246 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
POLB P06746 1/20 0.32
CCR5 P51681 1/20 0.32
HTT P42858 2/20 0.31

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
SCHEMBL8698030 0.87 ELANE (0.38) RAB9APLCG1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL8038835 0.84 L3MBTL1 (0.36) RAB9APLCG1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL14875145 0.76 PLCG1 (0.42) RAB9APLCG1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL9198910 0.74 PLCG1 (0.42) RAB9APLCG1L3MBTL1ALDH1A1FOLH1
SCHEMBL8040724 0.73 PLCG1 (0.38) RAB9APLCG1SMN1; SMN2ELANECCR5
SCHEMBL7146947 0.72 PLCG1 (0.39) RAB9APLCG1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL14875202 0.72 MAOB (0.43) RAB9APLCG1ALDH1A1SMN1; SMN2POLB
SCHEMBL14875135 0.71 MAOB (0.42) RAB9APLCG1ALDH1A1SMN1; SMN2POLB
SCHEMBL8042511 0.71 DPP8 (0.36) RAB9APLCG1L3MBTL1SMN1; SMN2NPC1
SCHEMBL8695464 0.71 KEAP1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0587436-B1 Process for preparing carbapenem and penem compounds and new compounds involved in that process SANKYO CO (JP) 2000-05-10 EP disclosed
EP-0587436-A1 Process for preparing carbapenem and penem compounds and new compounds involved in that process SANKYO COMPANY LIMITED (JP) 1994-03-16 EP disclosed