SCHEMBL13588223

SCHEMBL13588223

C=COc1cccc2cccc(C)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CYP2A6 P11509 3/20 0.34
▸ CYP1A2 P05177 5/20 0.33
▸ CYP1A1 P04798 1/20 0.32
▸ CYP1B1 Q16678 1/20 0.32
▸ ADRA2B P18089 1/20 0.31
▸ ADRA2C P18825 1/20 0.31
▸ MAPT P10636 2/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ GAA P10253 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ LMNA P02545 1/20 0.30
▸ ATM Q13315 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
SCHEMBL17063047 0.86 ALDH1A1 (0.39) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL13588222 0.79 ALDH1A1 (0.38) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL29591272 0.78 MAPT (0.46) ALDH1A1CYP3A4L3MBTL1CYP1A2MAPT
SCHEMBL7774706 0.78 MAPT (0.46) ALDH1A1CYP3A4L3MBTL1CYP1A2MAPT
SCHEMBL194092 0.77 TSHR (0.43) ALDH1A1TSHRTDP1CYP1A2ADRA2B
SCHEMBL15946499 0.77 ALDH1A1 (0.41) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL5611771 0.76 SCN4A (0.33) ALDH1A1CYP3A4TSHRCYP2A6CYP1A2
SCHEMBL13409419 0.75 CA12 (0.46) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL13588219 0.74 CYP1A2 (0.52) ALDH1A1HPGDTSHRHSD17B10CYP2A6
SCHEMBL9444806 0.74 ALDH1A1 (0.50) ALDH1A1CYP3A4HPGDHSD17B10ADRA2B

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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