SCHEMBL3633115

SCHEMBL3633115

CC(C)(O)Oc1ccccc1C=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
HPGD P15428 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
SRC P12931 3/20 0.50
LMNA P02545 3/20 0.48
KMT2A Q03164 3/20 0.48
GAA P10253 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
ERN1 O75460 2/20 0.46
TLR2 O60603 1/20 0.46
TLR1 Q15399 1/20 0.46
TLR6 Q9Y2C9 1/20 0.46
MEN1 O00255 2/20 0.44
THRB P10828 1/20 0.44
BLM P54132 1/20 0.44

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
SCHEMBL1132167 0.84 ALDH1A1 (0.55) ALDH1A1HPGDHTTSMN1; SMN2SRC
SCHEMBL30717263 0.84 ALDH1A1 (0.55) ALDH1A1HPGDHTTSMN1; SMN2SRC
SCHEMBL28586820 0.79 LMNA (0.52) ALDH1A1HPGDHTTSMN1; SMN2SRC
SCHEMBL11303006 0.79 CA1 (0.41) ALDH1A1SMN1; SMN2LMNAGAATDP1
SCHEMBL11385970 0.77 ALDH1A1 (0.52) ALDH1A1HPGDHTTSMN1; SMN2SRC
SCHEMBL4234831 0.77 ALDH1A1 (0.47) ALDH1A1HPGDHTTSMN1; SMN2SRC
SCHEMBL28063651 0.77 ALDH1A1 (0.61) ALDH1A1HPGDHTTSMN1; SMN2SRC
SCHEMBL23829522 0.76 ALDH1A1 (0.55) ALDH1A1HPGDHTTSMN1; SMN2SRC
SCHEMBL96815 0.76 ALDH1A1 (0.55) ALDH1A1HPGDHTTSMN1; SMN2SRC
SCHEMBL1199476 0.76 ELANE (0.61) ALDH1A1HPGDHTTSMN1; SMN2SRC

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155718-A2 ARYLOXAZOLE, ARYLOXADIAZOLE AND BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF SOMATOSTATINE RECEPTOR ACTIVITY F. Hoffmann-Roche AG (CH) 2010-02-24 EP disclosed
EP-2152710-A2 4,4-DISUBSTITUTED PIPERIDINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-02-17 EP disclosed
WO-2008148710-A2 ARYLOXAZOLE, ARYLOXADIAZOLE AND BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF SOMATOSTATINS RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2008-12-11 WO disclosed
WO-2008145524-A2 4,4-DISUBSTITUTED PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-12-04 WO disclosed
US-4713486-A ANTIALLERGENS BEECHAM GROUP P.L.C. (GB) 1987-12-15 US disclosed