SCHEMBL21597993

SCHEMBL21597993

CCCCCCCC/C=C\CCCCCCCC(=O)OC1c2ccccc2Oc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SOAT2 O75908 1/20 0.46
SOAT1 P35610 1/20 0.46
FAAH O00519 2/20 0.46
CES1 P23141 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
EPHX2 P34913 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.43
DGKA P23743 1/20 0.43
POLM Q9NP87 1/20 0.43
POLK Q9UBT6 1/20 0.43
POLL Q9UGP5 1/20 0.43
POLH Q9Y253 1/20 0.43

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
SCHEMBL7558023 0.98 FAAH (0.46) FAAHEPHX2
SCHEMBL21597992 0.93 KMT2A (0.51) KMT2AMEN1POLBMAPTDGKA
SCHEMBL7560340 0.93 KMT2A (0.51) KMT2AMEN1POLBMAPTDGKA
SCHEMBL21597995 0.93 KMT2A (0.51) KMT2AMEN1POLBMAPTDGKA
SCHEMBL21597994 0.93 KMT2A (0.51) KMT2AMEN1POLBMAPTDGKA
SCHEMBL4459057 0.75 PRKCA (0.44) CES1KMT2AMEN1MAPT
SCHEMBL7298434 0.73 KMT2A (0.47) KMT2AMEN1MAPT
SCHEMBL4623962 0.72 EPHX2 (0.60) SOAT2SOAT1FAAHEPHX2POLB
SCHEMBL4623958 0.72 EPHX2 (0.60) SOAT2SOAT1FAAHEPHX2POLB
SCHEMBL15537993 0.72 EPHX2 (0.60) SOAT2SOAT1FAAHEPHX2POLB

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-2019243656-A1 METHOD FOR ENZYMATIC SYNTHESIS OF MONOESTERS OF POLYHYDROXYLATED COMPOUNDS UNIVERSIDAD DE MURCIA (ES) 2019-12-26 WO disclosed