SCHEMBL14677461

SCHEMBL14677461

Cc1noc(C)c1C(O)Cc1cc2cc(CC(=O)O)ccc2o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.47
GAA P10253 3/20 0.40
CYP26A1 O43174 1/20 0.39
CYP26B1 Q9NR63 1/20 0.39
PTGS1 P23219 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
HPSE Q9Y251 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PSMB8 P28062 1/20 0.33
PSMB5 P28074 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL14677076 0.89 RORC (0.45) RORCGAAALDH1A1LMNATP53
SCHEMBL14676262 0.84 RORC (0.62) RORCGAACYP26A1CYP26B1PTGS1
SCHEMBL14676263 0.84 RORC (0.62) RORCGAACYP26A1CYP26B1PTGS1
SCHEMBL14677460 0.81 RORC (0.50) RORCGAACYP26A1CYP26B1PTGS1
SCHEMBL14677417 0.79 RORC (0.79) RORCALDH1A1KMT2APSMB8PSMB5
SCHEMBL14676941 0.77 GAA (0.41) RORCGAACYP26A1CYP26B1PTGS1
SCHEMBL7997932 0.76 CYP26A1 (0.48) GAACYP26A1CYP26B1PTGS1AKR1C3
SCHEMBL14677062 0.75 CYP26A1 (0.51) RORCGAACYP26A1CYP26B1PTGS1
SCHEMBL14677114 0.74 GAA (0.43) RORCGAACYP26A1CYP26B1PTGS1
SCHEMBL14676010 0.72 RORC (0.59) RORCGAAALDH1A1LMNATP53

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-2736330-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2014-06-04 EP disclosed
WO-2013019682-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-02-07 WO disclosed