SCHEMBL21597992

SCHEMBL21597992

CCCCCCCCCC(=O)OC1c2ccccc2Oc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
USP2 O75604 1/20 0.44
CCR1 P32246 1/20 0.44
NAAA Q02083 2/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
DGKA P23743 1/20 0.42
GRM8 O00222 2/20 0.42
GRM5 P41594 2/20 0.42
GRM1 Q13255 2/20 0.42
GRM7 Q14831 2/20 0.42
GRM4 Q14833 2/20 0.42
NPC1 O15118 1/20 0.41
PRKCA P17252 5/20 0.41

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
SCHEMBL21597994 1.00 KMT2A (0.51) KMT2AMEN1MAPTTSHRSMN1; SMN2
SCHEMBL21597995 1.00 KMT2A (0.51) KMT2AMEN1MAPTTSHRSMN1; SMN2
SCHEMBL7560340 1.00 KMT2A (0.51) KMT2AMEN1MAPTTSHRSMN1; SMN2
SCHEMBL21597993 0.93 SOAT2 (0.46) KMT2AMEN1MAPTPOLBDGKA
SCHEMBL7559265 0.88 KMT2A (0.50) KMT2AMEN1MAPTTSHRSMN1; SMN2
SCHEMBL28476456 0.84 BCHE (0.47) NAAAPOLBDGKA
SCHEMBL27984068 0.84 BCHE (0.47) NAAAPOLBDGKA
SCHEMBL27878603 0.82 BCHE (0.49) KMT2AMEN1NAAAPOLBNPC1
SCHEMBL4459057 0.81 PRKCA (0.44) KMT2AMEN1MAPTNAAAPRKCA
Hydrochloric Acid SCHEMBL2278638 0.75 CCR1 (0.45) KMT2AMEN1MAPTTSHRSMN1; SMN2

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