SCHEMBL20484286

SCHEMBL20484286

CC(C)(C)c1ccc2oc3ccccc3c(=S)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 2/20 0.44
▸ PON1 P27169 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.40
▸ MAPT P10636 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MAOA P21397 3/20 0.37
▸ GLA P06280 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ PGAM1 P18669 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ MAOB P27338 1/20 0.36
▸ AHR P35869 2/20 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
SCHEMBL12060916 0.86 MAPT (0.53) KIF11PON1ALDH1A1MAPTMEN1
SCHEMBL5031122 0.83 CYP3A4 (0.47) KIF11ALDH1A1MAPTMEN1KMT2A
SCHEMBL8642698 0.80 MAOA (0.60) PON1ALDH1A1MAPTMEN1KMT2A
SCHEMBL23056731 0.80 PON1 (0.54) KIF11PON1ALDH1A1MAPTMEN1
SCHEMBL1615693 0.79 AHR (0.53) KIF11PON1ALDH1A1MAPTMEN1
SCHEMBL195537 0.78 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL29487286 0.78 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL1258329 0.77 MAOB (0.50) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL16806203 0.76 PON1 (0.51) KIF11PON1ALDH1A1MAPTMEN1
SCHEMBL19735274 0.75 KIF11 (0.42) KIF11PON1ALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2820073-B1 GLOSS-CONTROLLABLE, RADIATION-CURABLE INKJET INK ELECTRONICS FOR IMAGING INC (US) 2018-09-05 — — EP claimed
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