SCHEMBL7799321

SCHEMBL7799321

O=C(OCc1ccc([N+](=O)[O-])cc1)N1CCCC(C(O)[C@@H]2C[C@@H](O)CN2C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 2/20 0.41
DPP9 Q86TI2 2/20 0.41
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
DPP4 P27487 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PREP P48147 1/20 0.36
EPHX1 P07099 1/20 0.36
HTR2A P28223 1/20 0.36
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
ATM Q13315 1/20 0.35
HPGD P15428 1/20 0.35
OPRK1 P41145 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
SCHEMBL7804686 0.95 ALDH1A1 (0.39) DPP8DPP9ALDH1A1SMN1; SMN2POLB
SCHEMBL7806688 0.91 TDP1 (0.41) DPP8DPP9ALDH1A1SMN1; SMN2POLB
SCHEMBL7805751 0.90 SMN1; SMN2 (0.41) DPP8DPP9ALDH1A1SMN1; SMN2TDP1
SCHEMBL7805781 0.87 DPP8 (0.38) DPP8DPP9ALDH1A1SMN1; SMN2POLB
SCHEMBL7799332 0.81 ALDH1A1 (0.37) DPP8DPP9ALDH1A1SMN1; SMN2POLB
SCHEMBL8758764 0.80 DPP8 (0.48) DPP8DPP9ALDH1A1SMN1; SMN2POLB
SCHEMBL10698245 0.78 TDP1 (0.42) DPP8DPP9ALDH1A1POLBTDP1
SCHEMBL9020070 0.78 CCR5 (0.43) DPP8DPP9ALDH1A1SMN1; SMN2TDP1
SCHEMBL10858260 0.77 DPP8 (0.41) DPP8DPP9ALDH1A1DPP4DPP7
SCHEMBL7804746 0.77 ALDH1A1 (0.39) DPP8DPP9ALDH1A1SMN1; SMN2TDP1

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