SCHEMBL1546501

SCHEMBL1546501

CC(=O)OC(=Cc1ccccc1)C(=Cc1ccccc1)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.44
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
RECQL P46063 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 1/20 0.38
FBP1 P09467 1/20 0.38
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
GLA P06280 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
AKR1C1 Q04828 1/20 0.36
CYP2C19 P33261 1/20 0.36
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 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
SCHEMBL28251565 0.89 AKR1C3 (0.43) AKR1C3ALDH1A1TSHRRECQLMEN1
SCHEMBL30937972 0.88 AKR1C3 (0.55) AKR1C3ALDH1A1TSHRRECQLMEN1
SCHEMBL7615069 0.83 AKR1C3 (0.50) AKR1C3ALDH1A1TSHRRECQLMEN1
SCHEMBL3881261 0.81 AKR1C3 (0.57) AKR1C3ALDH1A1TSHRRECQLMEN1
SCHEMBL3619315 0.81 AKR1C3 (0.57) AKR1C3ALDH1A1TSHRRECQLMEN1
SCHEMBL9355303 0.81 AKR1C3 (0.57) AKR1C3ALDH1A1TSHRRECQLMEN1
SCHEMBL28178758 0.79 MEN1 (0.44) AKR1C3RECQLMEN1KMT2ANFKB1
SCHEMBL16498328 0.78 AKR1C3 (0.48) AKR1C3ALDH1A1TSHRRECQLMEN1
SCHEMBL5550086 0.78 ALDH1A1 (0.38) AKR1C3ALDH1A1TSHRRECQLMEN1
SCHEMBL4936314 0.77 AKR1C3 (0.44) AKR1C3ALDH1A1TSHRRECQLMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2311888-B1 Deprotection method of protected polymer SHINETSU CHEMICAL CO (JP) 2013-11-20 EP disclosed
US-8273830-B2 Deprotection method of protected polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-09-25 US disclosed
EP-2311888-A1 Deprotection method of protected polymer Shin-Etsu Chemical Co., Ltd. (JP) 2011-04-20 EP disclosed
US-20110086986-A1 DEPROTECTION METHOD OF PROTECTED POLYMER SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-04-14 US disclosed