SCHEMBL11540586

SCHEMBL11540586

O=C(O)CSc1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.83
L3MBTL1 Q9Y468 3/20 0.53
TDP1 Q9NUW8 1/20 0.53
FFAR1 O14842 2/20 0.53
HSD17B10 Q99714 3/20 0.49
KMT2A Q03164 2/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GAA P10253 1/20 0.46
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
SDCBP O00560 1/20 0.46
SDC2 P34741 1/20 0.46
HPGD P15428 3/20 0.45
HTT P42858 2/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
ALOX15 P16050 1/20 0.45
ALOX12 P18054 1/20 0.45
NR4A1 P22736 1/20 0.45

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
SCHEMBL1286277 0.89 FFAR1 (0.65) ALDH1A1L3MBTL1FFAR1HSD17B10KMT2A
Hydrochloric Acid SCHEMBL11623652 0.87 FFAR1 (0.63) ALDH1A1L3MBTL1FFAR1HSD17B10KMT2A
SCHEMBL11539694 0.86 ALDH1A1 (0.61) ALDH1A1L3MBTL1TDP1HSD17B10KMT2A
SCHEMBL21451083 0.86 ALDH1A1 (0.89) ALDH1A1L3MBTL1TDP1FFAR1HSD17B10
SCHEMBL11539899 0.84 FFAR1 (0.59) ALDH1A1L3MBTL1FFAR1HSD17B10KMT2A
SCHEMBL7409066 0.80 ALDH1A1 (0.53) ALDH1A1L3MBTL1TDP1HSD17B10KMT2A
SCHEMBL8000250 0.79 ALDH1A1 (0.75) ALDH1A1FFAR1HSD17B10GAAMAPK1
SCHEMBL11986376 0.77 ALDH1A1 (0.72) ALDH1A1FFAR1HSD17B10KMT2ARAB9A
SCHEMBL4255888 0.77 ALDH1A1 (0.72) ALDH1A1FFAR1HSD17B10KMT2ARAB9A
SCHEMBL7298915 0.76 ALDH1A1 (0.49) ALDH1A1L3MBTL1TDP1HSD17B10KMT2A

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
US-4156011-A TREATMENT OF CARDIOVASCULAR DISORDERS SOCIETE ANONYME DITE: LABORATOIRE L. LAFON (FR) 1979-05-22 US disclosed