SCHEMBL4964401

SCHEMBL4964401

CCCc1cc(Cc2c(C)cc(CO)cc2C)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRA P10827 11/20 0.48
THRB P10828 11/20 0.48
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
ALOX5 P09917 1/20 0.46
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
BACE1 P56817 1/20 0.40
SHBG P04278 1/20 0.39
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
XBP1 P17861 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL4963440 0.82 THRA (0.66) THRATHRBESR1ESR2ALOX5
SCHEMBL5372926 0.82 ALOX5 (0.57) ESR1ESR2ALOX5CNR1CNR2
SCHEMBL68146 0.81 ALOX5 (0.59) ESR1ESR2ALOX5CNR1CNR2
SCHEMBL20601960 0.78 THRB (0.67) THRATHRBALOX5
SCHEMBL1021086 0.75 ALOX5 (0.71) ALOX5CNR1CNR2BACE1LMNA
SCHEMBL1457668 0.75 THRB (0.67) THRATHRBESR1ESR2
SCHEMBL27761299 0.74 ALOX5 (0.60) ALOX5CNR1CNR2BACE1LMNA
SCHEMBL9339864 0.74 HTT (0.47) THRATHRBESR1ESR2ALOX5
SCHEMBL1021610 0.73 TRPA1 (0.59) ESR1ESR2ALOX5CNR1CNR2
SCHEMBL4962366 0.73 THRB (0.69) THRATHRBALOX5BACE1

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
EP-1890768-A2 NOVEL PHOSPHINIC ACID-CONTAINING THYROMIMETICS Metabasis Therapeutics, Inc. (US) 2008-02-27 EP disclosed
WO-2006128056-A2 NOVEL PHOSPHINIC ACID-CONTAINING THYROMIMETICS METABASIS THERAPEUTICS, INC. (US) 2006-11-30 WO disclosed