SCHEMBL13980682

SCHEMBL13980682

CC(=O)OCc1cc(C)cc(OCCC2(CC=O)CCCCC2)c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
THRB P10828 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HPGD P15428 1/20 0.32
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
CYP3A4 P08684 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PARP10 Q53GL7 1/20 0.30

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
SCHEMBL4689996 0.93 CYP3A4 (0.33) MEN1KMT2ACYP3A4ALDH1A1
SCHEMBL13980640 0.80 KMT2A (0.34) MEN1KMT2ACYP3A4ALDH1A1
SCHEMBL4688248 0.78 PGR (0.31) LMNATHRB
SCHEMBL4687511 0.73 PLA2G2A (0.40) MEN1KMT2AALDH1A1
SCHEMBL14088961 0.73 ATM (0.39) LMNAKMT2ACYP3A4ALDH1A1
SCHEMBL13980679 0.72 CCR6 (0.38)
SCHEMBL4688246 0.69 ALDH1A1 (0.34) LMNAMEN1KMT2AHPGDALDH1A1
SCHEMBL4691042 0.69 ALDH1A1 (0.36) MEN1KMT2ACYP3A4ALDH1A1
SCHEMBL1935987 0.68 ALDH1A1 (0.46) KMT2AHPGDCYP3A4ALDH1A1PARP10
SCHEMBL3911151 0.68 LMNA (0.47) LMNAMEN1KMT2ACYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1443046-B1 NOVEL 4-(2FUROYL)AMINOPIPERIDINES, INTERMEDIATES IN SYNTHESIZING THE SAME, PROCESS FOR PRODUCING THE SAME AND MEDICINAL USE OF THE SAME KYORIN SEIYAKU KK (JP) 2008-12-17 EP disclosed