SCHEMBL8317397

SCHEMBL8317397

CCCCn1cc(OC(=O)O)c(=O)c2cc(F)ccc21

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ICMT O60725 4/20 0.52
CNR2 P34972 10/20 0.47
CNR1 P21554 5/20 0.47
THRB P10828 1/20 0.44
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
KDM4C Q9H3R0 1/20 0.41
HRH2 P25021 1/20 0.41

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
SCHEMBL27335551 0.84 CNR2 (0.55) ICMTCNR2CNR1THRBKDM4C
SCHEMBL3242119 0.78 PTGDR2 (0.48) THRBTP53GAA
SCHEMBL9416407 0.78 CNR2 (0.46) CNR2CNR1GAA
SCHEMBL4494230 0.78 CNR2 (0.61) ICMTCNR2CNR1KDM4CHRH2
SCHEMBL26630665 0.77 KDM4C (0.58) ICMTCNR2CNR1THRBKDM4C
SCHEMBL3237092 0.76 GAA (0.50) THRBTP53GAA
SCHEMBL3245321 0.76 CNR2 (0.45) CNR2CNR1TP53
SCHEMBL3230362 0.75 AKR1B1 (0.43) THRBTP53
SCHEMBL3245353 0.73 CNR2 (0.41) CNR2THRBTP53GAA
SCHEMBL3241690 0.73 THRB (0.40) CNR2THRBTP53GAA

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-0944385-A2 USE OF 7-(1-AMINOMETHYL-2-OXA-7-AZA-BICYCLO 3.3.0]OCT-7-YL)-QUINOLONE CARBOXYLIC ACID AND NAPHTHYRIDONE CARBOXYLIC ACID DERIVATIVES FOR TREATING $i(HELICOBACTER PYLORI) INFECTIONS AND THE GASTRODUODENAL DISEASES ASSOCIATED THEREWITH BAYER AG (DE) 1999-09-29 EP disclosed
WO-1998026768-A2 USE OF 7-(1-AMINOMETHYL-2-OXA-7-AZA-BICYCLO[3.3.0]OCT-7-YL)-QUINOLONE CARBOXYLIC ACID AND NAPHTHYRIDONE CARBOXYLIC ACID DERIVATIVES FOR TREATING HELICOBACTER PYLORI INFECTIONS AND THE GASTRODUODENAL DISEASES ASSOCIATED THEREWITH BAYER AKTIENGESELLSCHAFT (DE) 1998-06-25 WO disclosed