SCHEMBL8585474

SCHEMBL8585474

CCCCCCCCCCc1ccc(C(=O)Oc2ccc3c(c2)CCC(C(=O)Oc2ccccc2C(=O)O)C3)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.45
PLK1 P53350 6/20 0.41
PLK3 Q9H4B4 4/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
STAT3 P40763 1/20 0.39
DRD3 P35462 2/20 0.38
FAAH O00519 6/20 0.38
DRD2 P14416 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL8536717 0.91 MCHR1 (0.46) MCHR1PLK1FAAH
SCHEMBL8533720 0.86 PTPN11 (0.42) MCHR1PLK1FAAH
SCHEMBL8585479 0.83 PLK1 (0.45) PLK1PLK3PPARGPPARAMEN1
SCHEMBL8535144 0.83 MCHR1 (0.53) MCHR1DRD3DRD2MEN1KMT2A
SCHEMBL8535104 0.83 MCHR1 (0.53) MCHR1DRD3DRD2MEN1KMT2A
SCHEMBL8537443 0.83 MCHR1 (0.53) MCHR1DRD3DRD2MEN1KMT2A
SCHEMBL8532647 0.83 MCHR1 (0.53) MCHR1DRD3DRD2MEN1KMT2A
SCHEMBL8532711 0.83 MCHR1 (0.53) MCHR1DRD3DRD2MEN1KMT2A
SCHEMBL8533706 0.83 MCHR1 (0.53) MCHR1DRD3DRD2MEN1KMT2A
SCHEMBL9129505 0.81 PLK1 (0.56) PLK1PLK3PPARGPPARASTAT3

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
US-5776365-A COMPOUNDS WITH OPTICAL ACTIVITY AND SWITCHES FOR CONTRAST MITSUI CHEMICALS, INC. (JP) 1998-07-07 US disclosed
US-5725798-A CARBOXYLIC ESTERS FOR ELECTRICAL APPARATUS, SWITCHES AND CONTRAST MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1998-03-10 US disclosed