SCHEMBL11760141

SCHEMBL11760141

C=CC(=O)NC(C)(C)CCCCCCCCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.53
ZDHHC2 Q9UIJ5 1/20 0.53
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
EPHX1 P07099 1/20 0.41
FAAH O00519 1/20 0.39
MAPT P10636 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CES2 O00748 1/20 0.38
GGPS1 O95749 1/20 0.36
GMNN O75496 1/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL9397033 1.00 ZDHHC20 (0.53) ZDHHC20ZDHHC2MEN1KMT2AALDH1A1
SCHEMBL5713069 1.00 ZDHHC20 (0.53) ZDHHC20ZDHHC2MEN1KMT2AALDH1A1
SCHEMBL30617780 0.98 ZDHHC20 (0.51) ZDHHC20ZDHHC2MEN1KMT2AALDH1A1
SCHEMBL30603875 0.98 ZDHHC20 (0.51) ZDHHC20ZDHHC2MEN1KMT2AALDH1A1
SCHEMBL36168 0.98 ZDHHC20 (0.50) ZDHHC20ZDHHC2MEN1KMT2AALDH1A1
SCHEMBL8765940 0.93 MEN1 (0.50) ZDHHC20ZDHHC2MEN1KMT2AALDH1A1
SCHEMBL21450645 0.86 ZDHHC20 (0.53) ZDHHC20ZDHHC2MEN1KMT2AALDH1A1
SCHEMBL7520353 0.85 ALDH1A1 (0.42) ZDHHC20ZDHHC2MEN1KMT2AALDH1A1
SCHEMBL4906709 0.85 KMT2A (0.53) ZDHHC20ZDHHC2MEN1KMT2AALDH1A1
SCHEMBL19069207 0.84 ZDHHC20 (0.51) ZDHHC20ZDHHC2MEN1KMT2AALDH1A1

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-4026926-A COMPLEX OF SULFUR TRIOXIDE WITH A SECONDARY AMIDE TOHO BESLON KABUSHIKI KAISHA (JA) 1977-05-31 US claimed
US-4026926-A COMPLEX OF SULFUR TRIOXIDE WITH A SECONDARY AMIDE TOHO BESLON KABUSHIKI KAISHA (JA) 1977-05-31 US disclosed