SCHEMBL9845990

SCHEMBL9845990

O=C1CCCC(=O)C1=C1SC(N2CCOCC2)C(N2CCOCC2)S1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
HPGD P15428 2/20 0.31
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
KDM4E B2RXH2 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL9835656 0.74 ALDH1A1 (0.42) ALDH1A1
SCHEMBL9845949 0.62 ALDH1A1 (0.45) ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL131067 0.60 SMN1; SMN2 (0.44) ALDH1A1HPGDMAPTL3MBTL1KMT2A
SCHEMBL16822338 0.59 ALDH1A1 (0.43) ALDH1A1HPGDL3MBTL1SMN1; SMN2HSD17B10
SCHEMBL908743 0.57 SLC18A3 (0.53) ALDH1A1HPGDKDM4EKMT2ASMN1; SMN2
SCHEMBL9836014 0.57 ALDH1A1 (0.54) ALDH1A1KMT2ASMN1; SMN2HSD17B10
SCHEMBL1799606 0.57 SMN1; SMN2 (0.46) ALDH1A1HPGDL3MBTL1KDM4ESMN1; SMN2
SCHEMBL9845969 0.57 ALDH1A1 (0.39) ALDH1A1
SCHEMBL7593164 0.56 PIM1 (0.35) ALDH1A1HPGDL3MBTL1SMN1; SMN2
SCHEMBL11039721 0.56 PIK3CD (0.43) ALDH1A1PIK3CDPIK3CAPIK3CBPIK3CG

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
EP-0414952-A1 Dithiolane derivatives NIHON NOHYAKU CO., LTD. (JP) 1991-03-06 EP claimed