SCHEMBL1733422

SCHEMBL1733422

C=CCOC(=O)C12CC3(O)CC(O)(CC(O)(C3)C1)C2

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.35
TSHR P16473 2/20 0.33
MAPT P10636 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
ALDH1A1 P00352 3/20 0.31
HSD17B10 Q99714 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL6559200 0.88 CYP3A4 (0.39) CYP3A4TSHRMAPTCACNA1BAPBA1
SCHEMBL1733640 0.81 CYP3A4 (0.35) CYP3A4TSHRMAPTCACNA1BAPBA1
SCHEMBL6560524 0.76 NPSR1 (0.41) CYP3A4TSHRMAPTCACNA1BAPBA1
SCHEMBL6559153 0.73 NPSR1 (0.53) MAPTALDH1A1SMN1; SMN2
SCHEMBL5608170 0.72 POLB (0.41) MAPTALDH1A1HSD17B10SMN1; SMN2
SCHEMBL7797331 0.72 ALDH1A1 (0.50) CYP3A4MAPTALDH1A1
SCHEMBL9017819 0.71 CYP3A4 (0.39) CYP3A4TSHRMAPTCACNA1BAPBA1
SCHEMBL1361994 0.70 CYP3A4 (0.33) CYP3A4TSHRMAPTCACNA1BAPBA1
SCHEMBL7196359 0.69 CYP3A4 (0.42) CYP3A4TSHRMAPTCACNA1BAPBA1
SCHEMBL9249765 0.69 ALDH1A1 (0.36) CYP3A4TSHRMAPTCACNA1BAPBA1

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-1443363-B1 Photoresist composition DAICEL CHEM (JP) 2013-07-10 EP disclosed
EP-0999474-B1 Photoresist resin composition and method for forming a pattern DAICEL CHEM (JP) 2011-11-23 EP disclosed
EP-1443363-A2 Compounds for photoresist and resin composition for photoresist Daicel Chemical Industries, Ltd. (JP) 2004-08-04 EP disclosed
US-6391520-B1 ADAMANTANE COMPOUND OR POLYMER AND PHOTOACID GENERATORS; ETCHING RESISTANCE; SOLUBILIZABLE BY IRRADIATION WITH LIGHT; MINUTE PATTERNS DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-05-21 US disclosed
EP-0999474-A1 COMPOUNDS FOR PHOTORESIST AND RESIN COMPOSITION FOR PHOTORESIST Daicel Chemical Industries, Ltd. (JP) 2000-05-10 EP disclosed