SCHEMBL9748657

SCHEMBL9748657

C#CCC(C)(C(=O)OCC)C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.44
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP4F2 P78329 3/20 0.39
CYP4A11 Q02928 3/20 0.39
ALDH1A1 P00352 3/20 0.37
PKM P14618 3/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
THRB P10828 1/20 0.35
ABCB11 O95342 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
HTR2A P28223 1/20 0.35
PMP22 Q01453 1/20 0.35
PPARA Q07869 1/20 0.35
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34

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
SCHEMBL1313060 0.83 CYP4F2 (0.47) MMP8MEN1KMT2ACYP4F2CYP4A11
SCHEMBL379262 0.81 MEN1 (0.50) MMP8MEN1KMT2ACYP4F2CYP4A11
SCHEMBL17212019 0.81 MEN1 (0.41) MMP8MEN1KMT2ACYP4F2CYP4A11
SCHEMBL13622353 0.81 MEN1 (0.41) MMP8MEN1KMT2ACYP4F2CYP4A11
SCHEMBL31265512 0.80 PKM (0.38) MMP8MEN1KMT2ACYP4F2CYP4A11
SCHEMBL20211699 0.79 MEN1 (0.53) MMP8MEN1KMT2ACYP4F2CYP4A11
SCHEMBL1315228 0.78 CYP4F2 (0.50) MMP8MEN1KMT2ACYP4F2CYP4A11
SCHEMBL15551008 0.78 MMP8 (0.43) MMP8MEN1KMT2ACYP4F2CYP4A11
SCHEMBL18541186 0.78 CYP4F2 (0.50) MMP8MEN1KMT2ACYP4F2CYP4A11
SCHEMBL9623535 0.78 MMP8 (0.43) MMP8MEN1KMT2ACYP4F2CYP4A11

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-0213293-B1 11-Substituted 5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-ones, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1992-01-02 EP disclosed
US-4724236-A FOR TREATING THROMBOEBOLIC DISEASE, BRADYCARDIA OR BRADYARRYTHMIA KARL THOMAE GMBH (DE) 1988-02-09 US disclosed
EP-0213293-A2 11-Substituted 5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-ones, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1987-03-11 EP disclosed