SCHEMBL12834717

SCHEMBL12834717

CCC(C)(CC)Oc1ccc(Oc2ccc(C(=O)c3ccc(C(C)(C)C)c(S(=O)(=O)O)c3)cc2S(=O)(=O)O)cc1S(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESRRA P11474 3/20 0.36
▸ CASP1 P29466 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ LMNA P02545 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 3/20 0.32
▸ POLB P06746 3/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ DUSP3 P51452 1/20 0.32
▸ PTPN5 P54829 1/20 0.32
▸ PTPN11 Q06124 1/20 0.32
▸ CTDSP1 Q9GZU7 1/20 0.32
▸ NPC1 O15118 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
SCHEMBL13181493 0.85 CASP1 (0.36) CASP1ALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL10067132 0.85 ALDH1A1 (0.34) CASP1ALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL14364636 0.83 ALDH1A1 (0.33) ESRRACASP1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL14364638 0.83 PPARG (0.32) ESRRACASP1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL10067129 0.80 CASP1 (0.36) CASP1ALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL13181480 0.79 — —
SCHEMBL10066819 0.79 ALDH1A1 (0.31) ALDH1A1SMN1; SMN2KMT2ALMNAMAPT
SCHEMBL14364635 0.79 ALDH1A1 (0.31) ALDH1A1SMN1; SMN2KMT2ALMNAMAPT
SCHEMBL14557904 0.79 ELANE (0.30) ELANE
SCHEMBL14557908 0.79 ELANE (0.34) 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-7897691-B2 Proton exchange membranes for fuel cell applications GM GLOBAL TECHNOLOGY OPERATIONS, INC. (US) 2011-03-01 — — US disclosed
Send feedback