SCHEMBL17438588

SCHEMBL17438588

C=CC(=O)OC12CC3CC(C1)CC(C(=O)OCC(F)(F)S(=O)(=O)[O-])(C3)C2.C[N+](C)(C)Cc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
TP53 P04637 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 3/20 0.33
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
DPP8 Q6V1X1 4/20 0.32
DPP9 Q86TI2 4/20 0.32
GAA P10253 2/20 0.32
POLB P06746 1/20 0.32
ABL1 P00519 1/20 0.31
TSHR P16473 1/20 0.31
RIN1 Q13671 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD11B1 P28845 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
SCHEMBL17438589 0.93 ALDH1A1 (0.36) ALDH1A1TP53L3MBTL1LMNAHTT
SCHEMBL17439024 0.79 ALDH1A1 (0.39) ALDH1A1TP53LMNAHTTTSHR
SCHEMBL10134890 0.78 NPSR1 (0.34) ALDH1A1L3MBTL1LMNA
SCHEMBL501662 0.77 L3MBTL1 (0.34) ALDH1A1TP53L3MBTL1LMNAHTT
SCHEMBL10483602 0.77 CYP17A1 (0.47) ALDH1A1TP53L3MBTL1LMNAHTT
SCHEMBL15769065 0.74 ALDH1A1 (0.32) ALDH1A1TP53L3MBTL1LMNA
SCHEMBL18430000 0.74 ALDH1A1 (0.32) ALDH1A1TP53L3MBTL1DPP8DPP9
SCHEMBL16820422 0.71
SCHEMBL17439026 0.70 ALDH1A1 (0.40) ALDH1A1TP53LMNAHTTTSHR
SCHEMBL23700942 0.70 NPSR1 (0.41) ALDH1A1TP53L3MBTL1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663593-B2 Polymer compound for a conductive polymer and method for producing same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-05-30 US disclosed
US-9601229-B2 Conductive polymer composite comprising a sulfo group-containing dopant polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-03-21 US disclosed
US-20160064112-A1 CONDUCTIVE POLYMER COMPOSITE AND SUBSTRATE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-03-03 US disclosed
US-20160017068-A1 POLYMER COMPOUND FOR A CONDUCTIVE POLYMER AND METHOD FOR PRODUCING SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-01-21 US disclosed