SCHEMBL15820331

SCHEMBL15820331

CCCCC(O)(CC)C(=O)OO

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
GAA P10253 1/20 0.33
FDPS P14324 7/20 0.32
GGPS1 O95749 3/20 0.32
SMPD1 P17405 1/20 0.32
AR P10275 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL8617250 0.87 GAA (0.33) CYP4F2CYP4A11GAAFDPS
SCHEMBL23754219 0.83 SMPD1 (0.44) KMT2AL3MBTL1FDPSGGPS1SMPD1
SCHEMBL16275127 0.83 SMPD1 (0.44) KMT2AL3MBTL1FDPSGGPS1SMPD1
SCHEMBL27519808 0.81 CYP4F2 (0.48) CYP4F2CYP4A11KMT2AL3MBTL1FDPS
SCHEMBL28545453 0.81 CYP4F2 (0.44) CYP4F2CYP4A11KMT2AL3MBTL1FDPS
SCHEMBL29286898 0.80 DGAT1 (0.36) KMT2AL3MBTL1TDP1GAAFDPS
SCHEMBL29057709 0.79 KMT2A (0.33) KMT2AL3MBTL1TDP1GAASMPD1
SCHEMBL9485960 0.78 PAM (0.35) CYP4F2CYP4A11KMT2AL3MBTL1FDPS
Butane SCHEMBL28092874 0.78 TSHR (0.33) KMT2AL3MBTL1TDP1
SCHEMBL15821368 0.77 AR (0.36) CYP4F2CYP4A11KMT2AL3MBTL1FDPS

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
WO-2014099171-A1 PREPARATION OF TRIALKYLINDIUM COMPOUNDS AND TRIALKYLGALLIUM COMPOUNDS ALBEMARLE CORPORATION (US) 2014-06-26 WO disclosed