SCHEMBL10067132

SCHEMBL10067132

CCC(C)(CC)Oc1ccc(Oc2ccc(C(=O)c3ccc(C(C)(CC)CC)c(S(=O)(=O)O)c3)cc2S(=O)(=O)O)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.34
▸ SMN1; SMN2 Q16637 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ LMNA P02545 3/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ POLB P06746 3/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ DUSP3 P51452 1/20 0.34
▸ PTPN5 P54829 1/20 0.34
▸ PTPN11 Q06124 1/20 0.34
▸ CTDSP1 Q9GZU7 1/20 0.34
▸ SLC6A2 P23975 3/20 0.33
▸ SLC6A4 P31645 3/20 0.33
▸ RXFP1 Q9HBX9 2/20 0.33
▸ GAA P10253 1/20 0.32

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
SCHEMBL14546135 0.92 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2KMT2ALMNAMAPK1
SCHEMBL13181493 0.92 CASP1 (0.36) ALDH1A1SMN1; SMN2KMT2ALMNAMAPK1
SCHEMBL14557995 0.91 ELANE (0.36) ALDH1A1SMN1; SMN2KMT2ALMNAMAPK1
SCHEMBL14557908 0.91 ELANE (0.34) ALDH1A1SMN1; SMN2KMT2ALMNAMAPK1
SCHEMBL14364638 0.91 PPARG (0.32) ALDH1A1SMN1; SMN2KMT2ALMNAMAPK1
SCHEMBL14629623 0.89 POLB (0.33) ALDH1A1SMN1; SMN2LMNAHTTPOLB
SCHEMBL14364635 0.85 ALDH1A1 (0.31) ALDH1A1SMN1; SMN2KMT2ALMNAMAPT
SCHEMBL10066819 0.85 ALDH1A1 (0.31) ALDH1A1SMN1; SMN2KMT2ALMNAMAPT
SCHEMBL12834717 0.85 ESRRA (0.36) ALDH1A1SMN1; SMN2KMT2ALMNAMAPK1
SCHEMBL10066820 0.85 PPARG (0.32) ALDH1A1SMN1; SMN2KMT2ALMNAMAPK1

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-8178590-B2 Block copolymer and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-15 — — US disclosed
Send feedback