SCHEMBL10880263

SCHEMBL10880263

CC(CCC(C)(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.41
GLRB P48167 1/20 0.41
GABBR2 O75899 1/20 0.41
GABBR1 Q9UBS5 1/20 0.41
GPR55 Q9Y2T6 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GALR3 O60755 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA2 P00918 2/20 0.39
CA1 P00915 1/20 0.39
LMNA P02545 2/20 0.39
RECQL P46063 1/20 0.39
ALDH1A1 P00352 5/20 0.38
GAA P10253 4/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.38
TYR P14679 1/20 0.38

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
SCHEMBL11048811 0.93 CYP2C9 (0.42) GLRA3GLRBGABBR2GABBR1GPR55
SCHEMBL10881026 0.91 CYP1A2 (0.42) GLRA3GLRBGABBR2GABBR1GPR55
SCHEMBL10880865 0.85 ALDH1A1 (0.51) GLRA3GLRBGABBR2GABBR1GPR55
SCHEMBL10882748 0.84 ESR1 (0.38) MEN1KMT2ACA2CA1LMNA
SCHEMBL10953186 0.82 CA2 (0.45) GABBR2GABBR1MEN1KMT2ASMN1; SMN2
SCHEMBL10882031 0.82 GABRA1 (0.35) HTTLMNAPOLBTSHRCYP1A2
SCHEMBL10880186 0.82 TTR (0.37) SMN1; SMN2TSHRCYP1A2CYP2C9CYP2C19
SCHEMBL10882334 0.82 GAA (0.42) HTTCA2CA1LMNAALDH1A1
SCHEMBL10881458 0.79 KIF11 (0.38) ALDH1A1TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL28382322 0.78 GLRA3 (0.43) GLRA3GLRBGABBR2GABBR1GPR55

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
EP-0106799-B1 PHENOLS AND THEIR PREPARATION CIBA-GEIGY AG (CH) 1986-03-19 EP disclosed