SCHEMBL9716296

SCHEMBL9716296

CCCCCc1ccc2cc(CCCOC(C(C)Oc3ncccn3)[S+]([O-])CCOCCO)ccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
CASP1 P29466 1/20 0.40
SLCO1B3 Q9NPD5 1/20 0.40
SLCO1B1 Q9Y6L6 1/20 0.40
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
CNR1 P21554 3/20 0.31
CNR2 P34972 2/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
HTT P42858 2/20 0.31
APAF1 O14727 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL9716367 0.88
SCHEMBL9716362 0.81 MEN1 (0.41) MAPK1MEN1KMT2ASMN1; SMN2USP2
SCHEMBL9716287 0.80 MEN1 (0.41) MAPK1MEN1KMT2ASMN1; SMN2USP2
SCHEMBL9716284 0.76 MEN1 (0.37) MAPK1MEN1KMT2ASMN1; SMN2USP2
Hydrochloric Acid SCHEMBL9716282 0.75 HTT (0.42) MAPK1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL10436737 0.73 MEN1 (0.41) MAPK1MEN1KMT2ASMN1; SMN2USP2
SCHEMBL9716354 0.73 MEN1 (0.42) MAPK1MEN1KMT2ASMN1; SMN2USP2
SCHEMBL10436554 0.70 CYP3A4 (0.41) MAPK1MEN1KMT2ASMN1; SMN2USP2
SCHEMBL9716350 0.68 MEN1 (0.37) MAPK1MEN1KMT2ASMN1; SMN2USP2
SCHEMBL10436553 0.66 MEN1 (0.43) MAPK1MEN1KMT2ASMN1; SMN2USP2

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-5103007-A Antitumor agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-04-07 US disclosed
EP-0378763-A1 Lipids, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-07-25 EP disclosed