SCHEMBL18947751

SCHEMBL18947751

C=CCCCCCOc1cc(Br)ccc1C(=O)COC(=O)C1CCC(OCC=C)C1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
NPC1 O15118 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
LSS P48449 4/20 0.31
PTPN2 P17706 1/20 0.31
PTPN1 P18031 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
SCHEMBL18949008 0.79 USP30 (0.32)
SCHEMBL18947752 0.74 KDM4E (0.41) MEN1KMT2AALDH1A1L3MBTL1HPGD
SCHEMBL16276339 0.61 MAOB (0.43) MAPK1NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL10737872 0.60 GAA (0.60) MEN1MAPK1KMT2ANPC1ALDH1A1
SCHEMBL21400622 0.60 ALDH1A1 (0.40) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL9395688 0.60 EPHX2 (0.43) KMT2ALMNA
SCHEMBL9699860 0.59 HPGD (0.43) MEN1KMT2AALDH1A1HTTL3MBTL1
SCHEMBL9710314 0.59 HPGD (0.43) MEN1KMT2AALDH1A1HTTL3MBTL1
SCHEMBL2187527 0.59 ALDH1A1 (0.50) MEN1MAPK1KMT2ANPC1ALDH1A1
SCHEMBL21822973 0.59 ATM (0.38) MEN1MAPK1KMT2ANPC1ALDH1A1

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-9676802-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 US disclosed