SCHEMBL15966205

SCHEMBL15966205

COCCOc1ccc(C2(CCC(C)C)c3ccccc3-c3ccccc32)cc1S(=O)(=O)O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.34
ALDH1A1 P00352 2/20 0.32
HTT P42858 2/20 0.31
F10 P00742 1/20 0.31
MAPT P10636 2/20 0.30
LMNA P02545 1/20 0.30
KMT2A Q03164 1/20 0.30
IDO1 P14902 1/20 0.30
TP53 P04637 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL15966182 0.90 ALDH1A1 (0.33) PDK2ALDH1A1HTTF10MAPT
SCHEMBL15965471 0.83 PDK2 (0.35) PDK2ALDH1A1MAPTIDO1TP53
SCHEMBL15966204 0.83 PTPN11 (0.40) PDK2ALDH1A1HTTKMT2A
SCHEMBL15966202 0.82 MAPT (0.33) PDK2ALDH1A1HTTF10MAPT
SCHEMBL15965474 0.81 HTR1A (0.35) PDK2ALDH1A1HTTMAPTLMNA
SCHEMBL15965473 0.81 HTR1A (0.35) PDK2ALDH1A1HTTMAPTLMNA
SCHEMBL15966203 0.72 PTPN11 (0.41) ALDH1A1HTTKMT2A
SCHEMBL15965468 0.72 L3MBTL1 (0.35) PDK2ALDH1A1MAPT
SCHEMBL15965469 0.70 HTR1A (0.36) ALDH1A1HTTMAPTLMNAKMT2A
SCHEMBL15965470 0.70 HTR1A (0.36) ALDH1A1HTTMAPTLMNAKMT2A

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-9520569-B2 Aryl compounds for application in a highly polar solvent SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-12-13 US disclosed
US-20140231717-A1 COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-08-21 US disclosed