SCHEMBL1733078

SCHEMBL1733078

CC12CC3(C)CC(O)(C1)CC(C(=O)OC(C)(C)C)(C2)C3

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 1/20 0.38
DPP4 P27487 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL4036133 0.81 TSHR (0.44) PKMSMN1; SMN2TSHRHSD17B10ALDH1A1
SCHEMBL5080852 0.80 DGAT1 (0.36) SMN1; SMN2MEN1KMT2A
SCHEMBL5608040 0.77 TSHR (0.41) PKMSMN1; SMN2TSHRHSD17B10ALDH1A1
SCHEMBL5608366 0.77 TSHR (0.41) PKMSMN1; SMN2TSHRHSD17B10ALDH1A1
SCHEMBL24189590 0.74 CA12 (0.33) SMN1; SMN2
SCHEMBL7734562 0.74 PKM (0.48) PKMSMN1; SMN2TSHRHSD17B10ALDH1A1
SCHEMBL1733355 0.74 PKM (0.48) PKMSMN1; SMN2TSHRHSD17B10ALDH1A1
SCHEMBL1733923 0.74 SMN1; SMN2 (0.33) PKMSMN1; SMN2TSHRHSD17B10ALDH1A1
SCHEMBL5608323 0.73 SMN1; SMN2 (0.46) PKMSMN1; SMN2TSHRHSD17B10ALDH1A1
SCHEMBL7634113 0.73 SMN1; SMN2 (0.46) PKMSMN1; SMN2TSHRHSD17B10ALDH1A1

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