SCHEMBL8095602

SCHEMBL8095602

O=C(O)CCCCCOc1ccc(C(=O)Nc2ccc(Cl)cc2C(O)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PLK1 P53350 4/20 0.45
SERPINE1 P05121 2/20 0.45
LMNA P02545 1/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 2/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
RXFP1 Q9HBX9 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KCNMA1 Q12791 1/20 0.41
TP53 P04637 1/20 0.41
CACNA1H O95180 1/20 0.41
CACNA1B Q00975 1/20 0.41
CYSLTR2 Q9NS75 2/20 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
SCHEMBL119600 0.76 KCNMA1 (0.55) MEN1KMT2ASERPINE1LMNARECQL
SCHEMBL29441545 0.76 KCNMA1 (0.55) MEN1KMT2ASERPINE1LMNARECQL
SCHEMBL29129832 0.76 KCNMA1 (0.55) MEN1KMT2ASERPINE1LMNARECQL
SCHEMBL29129829 0.76 KCNMA1 (0.55) MEN1KMT2ASERPINE1LMNARECQL
SCHEMBL10719026 0.74 NR1H4 (0.55) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL9713250 0.72 KCNMA1 (0.62) MEN1KMT2AMAPTKCNMA1TP53
SCHEMBL9171590 0.71 ADRA1D (0.62) PPARAMEN1KMT2APLK1ADRA1D
SCHEMBL8922627 0.71 PPARA (0.61) PPARAMEN1KMT2ANPSR1
SCHEMBL8921579 0.71 PPARA (0.61) PPARAMEN1KMT2ANPSR1
SCHEMBL28555169 0.71 PPARA (0.61) PPARAMEN1KMT2ANPSR1

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
JP-2000159737-A HAPTEN COMPOUND OF INABEFIDE, ANTIBODY AND DETERMINATION KANKYO MENEKI GIJUTSU KENKYUSHO:KK 2000-06-13 JP disclosed