SCHEMBL13588222

SCHEMBL13588222

C=COc1cccc2c(C)ccc(C)c12

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2A6 P11509 2/20 0.38
▸ MAPT P10636 3/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ PABPC1 P11940 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TYMS P04818 1/20 0.33
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ADRA2B P18089 1/20 0.31
▸ ADRA2C P18825 1/20 0.31
▸ GAA P10253 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
SCHEMBL13588219 0.81 CYP1A2 (0.52) ALDH1A1HPGDTSHRHSD17B10CYP1A2
SCHEMBL13588223 0.79 ALDH1A1 (0.35) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL13588227 0.77 CYP1A2 (0.52) ALDH1A1TSHRCYP1A2CYP2A6MAPT
SCHEMBL13588215 0.76 CYP1A2 (0.38) TSHRCYP1A2CYP2A6MAPTADRA2B
SCHEMBL13759886 0.76 MAOA (0.44) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL29592477 0.75 ADRA2B (0.33) ALDH1A1CYP3A4CYP2A6SMN1; SMN2ADRA2B
SCHEMBL3124235 0.75 ADRA2B (0.33) ALDH1A1CYP3A4CYP2A6SMN1; SMN2ADRA2B
SCHEMBL5611771 0.75 SCN4A (0.33) ALDH1A1CYP3A4TSHRCYP1A2CYP2A6
SCHEMBL29591272 0.72 MAPT (0.46) ALDH1A1CYP3A4L3MBTL1CYP1A2MAPT
SCHEMBL7774706 0.72 MAPT (0.46) ALDH1A1CYP3A4L3MBTL1CYP1A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629106-B2 Resist composition and patterning process using the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-12-08 — — US disclosed
US-20070111140-A1 Resist composition and patterning process using the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2007-05-17 — — US disclosed
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