SCHEMBL17797155

SCHEMBL17797155

CC1C(=O)Oc2ccc(O)cc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
HPGD P15428 5/20 0.47
GLA P06280 1/20 0.47
MAPT P10636 6/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
GAA P10253 2/20 0.45
HSD17B10 Q99714 1/20 0.45
ESR1 P03372 3/20 0.40
ESR2 Q92731 2/20 0.37
THRB P10828 2/20 0.37
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL9283252 0.85 MEN1 (0.47) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL6906648 0.84 ALDH1A1 (0.44) ALDH1A1HPGDGLAMAPTMEN1
SCHEMBL10262075 0.84 ALDH1A1 (0.46) ALDH1A1HPGDGLAMAPTMEN1
SCHEMBL7785526 0.79 GAA (0.58) ALDH1A1HPGDGLAKMT2AGAA
SCHEMBL7783242 0.75 ALDH1A1 (0.48) ALDH1A1HPGDMAPTGAAHSD17B10
SCHEMBL7785869 0.75 GAA (0.36) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL7785798 0.75 BRD4 (0.40) ALDH1A1MAPTGAABRD4
SCHEMBL29033586 0.75 ESR1 (0.45) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL7785861 0.75 ALDH1A1 (0.48) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL8802445 0.75 GAA (0.54) ALDH1A1HPGDGLAMAPTMEN1

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-2862918-B1 3-methyl-benzofuran-5-ol and its use in perfume compositions INT FLAVORS & FRAGRANCES INC (US) 2016-06-08 EP claimed