SCHEMBL13327342

SCHEMBL13327342

CCC(C)(C)OC(=O)c1ccc(C(=O)OC(C)(C)CC)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
BRD4 O60885 1/20 0.39
HPGDS O60760 1/20 0.38
RIPK1 Q13546 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CNR1 P21554 4/20 0.36
POLB P06746 1/20 0.36
NR4A2 P43354 1/20 0.36
CDC25B P30305 1/20 0.36
CNR2 P34972 2/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL13327345 0.93 TSHR (0.40) TSHRCYP1A2CYP2D6CYP2C19BRD4
SCHEMBL203311 0.87 TSHR (0.53) TSHRCYP1A2CYP2D6CYP2C19RIPK1
SCHEMBL13327346 0.87 CDC25B (0.52) TSHRCYP1A2CYP2D6ALDH1A1CNR1
SCHEMBL1415184 0.81 GABRP (0.44) TSHRBRD4HPGDSALDH1A1CDC25B
SCHEMBL14827243 0.81 KDM4E (0.32) TSHRCYP1A2CYP2D6CYP2C19RIPK1
SCHEMBL11616988 0.81 ALDH1A1 (0.49) TSHRCYP1A2CYP2D6CYP2C19RIPK1
SCHEMBL13327344 0.80 KDM4E (0.50) TSHRALDH1A1POLBCDC25BADRB2
SCHEMBL28637712 0.78 TSHR (0.41) TSHRCYP1A2CYP2D6CYP2C19ALDH1A1
Hydrogen Peroxide SCHEMBL28730771 0.78 CYP2D6 (0.61) TSHRCYP1A2CYP2D6CYP2C19RIPK1
SCHEMBL444728 0.78 CYP2D6 (0.61) TSHRCYP1A2CYP2D6CYP2C19RIPK1

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
US-7714316-B2 Method of manufacturing semiconductor device, acid etching resistance material and copolymer KABUSHIKI KAISHA TOSHIBA (JP) 2010-05-11 US disclosed
US-20080261149-A1 METHOD OF MANUFACTURING SEMICONDUCTOR DEVICE, ACID ETCHING RESISTANCE MATERIAL AND COPOLYMER ASAKAWA KOJI 2008-10-23 US disclosed
US-20070138139-A1 METHOD OF MANUFACTURING SEMICONDUCTOR DEVICE, ACID ETCHING RESISTANCE MATERIAL AND COPOLYMER ASAKAWA KOJI 2007-06-21 US disclosed
US-20070142592-A1 METHOD OF MANUFACTURING SEMICONDUCTOR DEVICE, ACID ETCHING RESISTANCE MATERIAL AND COPOLYMER ASAKAWA KOJI 2007-06-21 US disclosed
US-7208334-B2 Method of manufacturing semiconductor device, acid etching resistance material and copolymer KABUSHIKI KAISHA TOSHIBA (JP) 2007-04-24 US disclosed