SCHEMBL13429662

SCHEMBL13429662

COC(=O)c1cc(C2(c3ccc(OC)c(C(=O)OC)c3)c3cc(Br)ccc3-c3ccc([Si](OC)(OC)OC)cc32)ccc1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.38
▸ ALDH1A1 P00352 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ GFER P55789 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ POLB P06746 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.34
▸ STAT3 P40763 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34

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
SCHEMBL13429661 0.92 POLB (0.38) HSD17B10ALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL13429652 0.88 CA12 (0.39) HSD17B10ALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL13429648 0.86 PTPN11 (0.37) HSD17B10MAPTSMN1; SMN2NPSR1LMNA
SCHEMBL13429802 0.85 MAPT (0.39) HSD17B10ALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL16330293 0.83 HSD17B10 (0.39) HSD17B10ALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL13400898 0.78 HSP90AA1 (0.44) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL13430077 0.78 HSD17B10 (0.36) HSD17B10ALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL13429633 0.78 PTPN11 (0.45) ALDH1A1
SCHEMBL13429798 0.76 POLB (0.41) HSD17B10ALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL12514864 0.75 POLB (0.39) HSD17B10ALDH1A1MAPTCYP1A2CYP2C9

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
US-20100069603-A1 METHOD FOR PRODUCING STRUCTURE WHEREIN AROMATIC POLYMER IS BONDED TO BASE, STRUCTURE HAVING AROMATIC POLYMER CHAIN BONDED TO CONDUCTIVE BASE, AND ELECTRONIC DEVICE COMPRISING THE STRUCTURE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-18 — — US disclosed
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