SCHEMBL8788296

SCHEMBL8788296

C=CCOC(=O)c1ccc(OC)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
LMNA P02545 1/20 0.49
CYP3A4 P08684 2/20 0.47
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
FLT3 P36888 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPK1 P28482 3/20 0.43

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
SCHEMBL5378752 0.88 CYP3A4 (0.48) MAPTLMNACYP3A4ALDH1A1MEN1
SCHEMBL2705489 0.83 CYP3A4 (0.50) MAPTLMNACYP3A4ALDH1A1MEN1
SCHEMBL8788538 0.82 CYP3A4 (0.49) MAPTCYP3A4ALDH1A1KMT2AMAPK1
SCHEMBL8787550 0.82 MEN1 (0.52) MAPTLMNACYP3A4ALDH1A1MEN1
SCHEMBL8787003 0.82 MAPT (0.52) MAPTLMNACYP3A4MEN1KMT2A
SCHEMBL1571262 0.81 AKR1C3 (0.54) MAPTLMNACYP3A4ALDH1A1MEN1
SCHEMBL8787389 0.80 PARP1 (0.49) MAPTLMNACYP3A4ALDH1A1MEN1
SCHEMBL1632528 0.79 ALDH1A1 (0.57) MAPTLMNACYP3A4ALDH1A1MEN1
SCHEMBL17700760 0.79 CYP3A4 (0.51) LMNACYP3A4ALDH1A1MEN1KMT2A
SCHEMBL8786984 0.79 ALDH1A1 (0.60) MAPTCYP3A4ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0508682-B1 Antibiotic carbapenem derivatives ZENECA LTD (GB) 1997-07-23 EP disclosed
US-5541178-A THIENAMYCINS ZENECA LIMITED (GB) 1996-07-30 US disclosed
WO-1992017481-A1 ANTIBIOTIC CARBAPENEM DERIVATIVES ZENECA LTD. (GB) 1992-10-15 WO disclosed
EP-0508682-A1 Antibiotic carbapenem derivatives ZENECA LIMITED (GB) 1992-10-14 EP disclosed