SCHEMBL8788640

SCHEMBL8788640

C=CCOC(=O)c1ccc([N+](=O)[O-])c(OCC=C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.44
PELP1 Q8IZL8 1/20 0.44
KMT2A Q03164 4/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
SNCA P37840 1/20 0.42
CYP3A4 P08684 1/20 0.41
MAPT P10636 4/20 0.41
RAB9A P51151 3/20 0.41
POLB P06746 3/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
MYC P01106 1/20 0.40
MAX P61244 1/20 0.40
HCAR3 P49019 1/20 0.40

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
SCHEMBL8788464 0.90 PRSS1 (0.47) KMT2AKDM4EALDH1A1MAPTRAB9A
SCHEMBL15956338 0.88 ALDH1A1 (0.47) ARPELP1KMT2AKDM4EALDH1A1
SCHEMBL30669433 0.88 AR (0.56) ARPELP1KMT2AKDM4EALDH1A1
SCHEMBL4983306 0.88 AR (0.56) ARPELP1KMT2AKDM4EALDH1A1
SCHEMBL10319262 0.87 MAPT (0.47) KMT2AKDM4EALDH1A1MAPTRAB9A
SCHEMBL8787481 0.84 CYP3A4 (0.50) KMT2AKDM4EALDH1A1SNCACYP3A4
SCHEMBL1459781 0.83 TSHR (0.56) KMT2AKDM4EALDH1A1MAPTRAB9A
SCHEMBL13690626 0.82 KDM4E (0.57) KMT2AKDM4EALDH1A1SNCACYP3A4
SCHEMBL2705489 0.81 CYP3A4 (0.50) KMT2AKDM4EALDH1A1SNCACYP3A4
SCHEMBL753770 0.81 KMT2A (0.45) KMT2AKDM4EALDH1A1SNCACYP3A4

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 5 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
CN-1066657-A Antimicrobial compounds ICI PLC (GB) 1992-12-02 CN 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