SCHEMBL23245

SCHEMBL23245

Cc1ccc(C=O)cc1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.43
TSHR P16473 1/20 0.43
TRIM24 O15164 1/20 0.40
HPGD P15428 1/20 0.40
ALDH5A1 P51649 1/20 0.40
ABAT P80404 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
FDPS P14324 1/20 0.38
AOX1 Q06278 1/20 0.37
TTR P02766 1/20 0.36
POLB P06746 1/20 0.35
DRD2 P14416 1/20 0.35
ALDH1A3 P47895 3/20 0.35
CYP2A6 P11509 1/20 0.34
MAPT P10636 3/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL3857336 0.87 ALDH1A1 (0.43) ALDH1A1TSHRTRIM24HPGDALDH5A1
SCHEMBL36740 0.87 ALDH1A1 (0.50) ALDH1A1TSHRTRIM24HPGDALDH5A1
SCHEMBL30360260 0.87 ALDH1A1 (0.50) ALDH1A1TSHRTRIM24HPGDALDH5A1
SCHEMBL29234008 0.84 ALDH1A1 (0.43) ALDH1A1TSHRTRIM24HPGDALDH5A1
SCHEMBL14045435 0.83 ALDH1A1 (0.58) ALDH1A1TSHRTRIM24HPGDALDH5A1
SCHEMBL30504088 0.83 ALDH1A1 (0.64) ALDH1A1TSHRTRIM24HPGDALDH5A1
SCHEMBL22428 0.83 ALDH1A1 (0.64) ALDH1A1TSHRTRIM24HPGDALDH5A1
SCHEMBL4493705 0.83 ALDH1A1 (0.46) ALDH1A1TSHRTRIM24HPGDALDH5A1
SCHEMBL498989 0.83 ALDH1A1 (0.64) ALDH1A1TSHRTRIM24HPGDALDH5A1
SCHEMBL3116390 0.81 ALDH1A1 (0.43) ALDH1A1TSHRTRIM24HPGDALDH5A1

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-2609089-A1 SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS Universität des Saarlandes (DE) 2013-07-03 EP disclosed
WO-2012025638-A1 SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS Universität des Saarlandes (DE) 2012-03-01 WO disclosed
WO-2012025638-A1 SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS Universität des Saarlandes (DE) 2012-03-01 WO disclosed
EP-1206429-A2 STILBENES WITH VASCULAR DAMAGING ACTIVITY Angiogene Pharmaceuticals Ltd (GB) 2002-05-22 EP disclosed
WO-2001012579-A2 NEW STILBENES WITH VASCULAR DAMAGING ACTIVITY ANGIOGENE PHARMACEUTICALS LTD. (GB) 2001-02-22 WO disclosed