SCHEMBL7804686

SCHEMBL7804686

O=C(OCc1ccc([N+](=O)[O-])cc1)N1CCC(C(O)[C@@H]2C[C@@H](O)CN2C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HTR2A P28223 1/20 0.37
KMT2A Q03164 2/20 0.36
ATM Q13315 1/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
OPRK1 P41145 1/20 0.36
POLB P06746 1/20 0.36
KCNJ1 P48048 1/20 0.36
KCNH2 Q12809 1/20 0.36
MEN1 O00255 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
SCHEMBL7805751 0.95 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2LMNAMAPTDPP8
SCHEMBL7799321 0.95 DPP8 (0.41) ALDH1A1SMN1; SMN2LMNAMAPTDPP8
SCHEMBL7806688 0.92 TDP1 (0.41) ALDH1A1SMN1; SMN2LMNAMAPTDPP8
SCHEMBL7799332 0.86 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2LMNAMAPTDPP8
SCHEMBL7804672 0.81 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2LMNAMAPTDPP8
SCHEMBL7805781 0.81 DPP8 (0.38) ALDH1A1SMN1; SMN2LMNAMAPTDPP8
SCHEMBL9020070 0.81 CCR5 (0.43) ALDH1A1SMN1; SMN2LMNAMAPTDPP8
SCHEMBL9020352 0.80 CCR5 (0.42) ALDH1A1SMN1; SMN2LMNAMAPTDPP8
SCHEMBL10698245 0.80 TDP1 (0.42) ALDH1A1MAPTDPP8DPP9TDP1
SCHEMBL5723978 0.80 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2LMNAMAPTDPP8

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