SCHEMBL24643324

SCHEMBL24643324

CCOC(=O)C[C@@H](O)c1ccc(OC)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.57
AOC3 Q16853 2/20 0.49
ALDH1A1 P00352 4/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.46
THRB P10828 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 2/20 0.43
GLA P06280 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL4811149 1.00 ALOX15 (0.57) ALOX15AOC3ALDH1A1MAPTHPGD
SCHEMBL10665829 0.85 L3MBTL1 (0.56) ALOX15ALDH1A1MAPTHPGDTHRB
SCHEMBL9391256 0.85 HPGD (0.57) ALOX15HPGDTHRBL3MBTL1HTT
SCHEMBL16509661 0.85 ALOX15 (0.55) ALOX15ALDH1A1MAPTHPGDTHRB
SCHEMBL13573006 0.85 ALOX15 (0.55) ALOX15ALDH1A1MAPTHPGDTHRB
SCHEMBL12430380 0.85 ALOX15 (0.55) ALOX15ALDH1A1MAPTHPGDTHRB
SCHEMBL5468798 0.85 AOC3 (0.57) AOC3ALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL7644842 0.84 LMNA (0.47) ALOX15ALDH1A1MAPTHPGDKDM4E
SCHEMBL8770968 0.84 SMN1; SMN2 (0.50) ALOX15ALDH1A1HPGDTHRBL3MBTL1
SCHEMBL4497426 0.83 KMT2A (0.49) ALOX15ALDH1A1MAPTKDM4EHTT

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
WO-2022235866-A1 COVALENT RAS INHIBITORS AND USES THEREOF Revolution Medicines, Inc. (US) 2022-11-10 WO disclosed