SCHEMBL20143489

SCHEMBL20143489

CCC(C)(C)NC(=O)C(C)CC(C)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.35
HPGD P15428 1/20 0.34
PKM P14618 1/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 1/20 0.32
USP2 O75604 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
KMT2A Q03164 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
SCHEMBL22916680 0.82 POLB (0.36) KDM4E
SCHEMBL9963459 0.82 EPHX1 (0.40) EPHX1HPGDPKMKDM4EL3MBTL1
SCHEMBL22664190 0.81
SCHEMBL9966002 0.80 EPHX1 (0.39) EPHX1HPGDPKMKDM4EL3MBTL1
SCHEMBL19392024 0.80 EPHX1 (0.39) EPHX1HPGDPKMKDM4EL3MBTL1
SCHEMBL15698015 0.80 USP2 (0.35) EPHX1HPGDPKMKDM4EL3MBTL1
SCHEMBL13947602 0.80 USP2 (0.35) EPHX1HPGDPKMKDM4EL3MBTL1
SCHEMBL25762057 0.77 EPHX1 (0.37) EPHX1HPGDPKMKDM4EL3MBTL1
SCHEMBL23964744 0.76 EPHX1 (0.39) EPHX1HPGDPKMKDM4EL3MBTL1
SCHEMBL1754047 0.76 EPHX1 (0.41) EPHX1HPGDPKMKDM4EL3MBTL1

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-9968535-B2 Personal care compositions comprising undecyl sulfates THE PROCTER & GAMBLE COMPANY (US) 2018-05-15 US disclosed