SCHEMBL29615516

SCHEMBL29615516

O=C(O)C1COc2ccccc2O1.c1ccc2c(c1)OCCO2

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.56
ALDH1A1 P00352 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HTT P42858 3/20 0.56
CYP2C19 P33261 1/20 0.56
NISCH Q9Y2I1 1/20 0.56
POLB P06746 3/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
ALOX15 P16050 1/20 0.50
RECQL P46063 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KDM4E B2RXH2 1/20 0.50
PKM P14618 1/20 0.50

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
SCHEMBL29437007 0.95 HPGD (0.61) HPGDALDH1A1SMN1; SMN2HTTCYP2C19
SCHEMBL229498 0.95 HPGD (0.61) HPGDALDH1A1SMN1; SMN2HTTCYP2C19
SCHEMBL566636 0.95 HPGD (0.61) HPGDALDH1A1SMN1; SMN2HTTCYP2C19
SCHEMBL1300333 0.95 HPGD (0.61) HPGDALDH1A1SMN1; SMN2HTTCYP2C19
Hydrochloric Acid SCHEMBL3885955 0.93 HPGD (0.59) HPGDALDH1A1SMN1; SMN2HTTCYP2C19
Hydrochloric Acid SCHEMBL7528728 0.93 HPGD (0.59) HPGDALDH1A1SMN1; SMN2HTTCYP2C19
Hydrochloric Acid SCHEMBL7526056 0.93 HPGD (0.59) HPGDALDH1A1SMN1; SMN2HTTCYP2C19
SCHEMBL5608372 0.84 HPGD (0.47) HPGDALDH1A1SMN1; SMN2HTTCYP2C19
SCHEMBL3568567 0.82 HPGD (0.63) HPGDALDH1A1SMN1; SMN2HTTCYP2C19
SCHEMBL1567597 0.80 HPGD (0.61) HPGDALDH1A1SMN1; SMN2HTTCYP2C19

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
CN-108602807-B Heterocyclic sulfonamide derivatives and drugs containing the same EA制药株式会社 2022-05-13 CN disclosed