SCHEMBL4201188

SCHEMBL4201188

CCCc1cc(Cc2cc(C)c(O)cc2C)ccc1OCOC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.40
GABRB2 P47870 5/20 0.40
ALOX5 P09917 2/20 0.40
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
HMGCR P04035 1/20 0.35
SLC5A1 P13866 2/20 0.33
SLC5A2 P31639 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
ELANE P08246 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RAD52 P43351 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL4189061 0.81 THRB (0.40) GABRA1GABRB2ALOX5GABRA5GABRA3
SCHEMBL281944 0.81 THRB (0.39) ESR1ESR2SLC5A1SLC5A2THRA
SCHEMBL4960984 0.76 GABRA1 (0.36) GABRA1GABRB2ALOX5HMGCRGABRA5
SCHEMBL18020671 0.76 ATM (0.47) GABRA1GABRB2ESR1ESR2MEN1
SCHEMBL4961165 0.74 HTT (0.45) ALOX5ESR1THRATHRBMEN1
SCHEMBL4964744 0.72 ALOX5 (0.34) GABRA1GABRB2ALOX5THRBMEN1
SCHEMBL4034974 0.72 GABRA1 (0.42) GABRA1GABRB2ALOX5THRBMEN1
SCHEMBL282633 0.71 THRA (0.47) THRATHRB
SCHEMBL8347901 0.70 ESR1 (0.70) ESR1ESR2SLC5A1SLC5A2THRA
SCHEMBL14139877 0.70 NPSR1 (0.46) ALOX5ESR1ESR2HMGCRMAPT

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-1689383-A4 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS METABASIS THERAPEUTICS INC (US) 2009-02-18 EP disclosed
EP-1689383-A2 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS Metabasis Therapeutics, Inc. (US) 2006-08-16 EP disclosed
WO-2005051298-A2 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS METABASIS THERAPEUTICS, INC. (US) 2005-06-09 WO disclosed