SCHEMBL21893084

SCHEMBL21893084

CCCCCCCC/C=C\CCCCCCCC1OC(CO)C(CO)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 10/20 0.43
LPAR2 Q9HBW0 7/20 0.43
FAAH O00519 3/20 0.41
TRPV1 Q8NER1 1/20 0.41
TERT O14746 2/20 0.41
GMNN O75496 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
APEX1 P27695 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
DUSP3 P51452 1/20 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
SCHEMBL21893086 1.00 ENPP2 (0.43) ENPP2LPAR2FAAHTRPV1TERT
SCHEMBL24300519 1.00 ENPP2 (0.43) ENPP2LPAR2FAAHTRPV1TERT
SCHEMBL18561758 1.00 ENPP2 (0.43) ENPP2LPAR2FAAHTRPV1TERT
SCHEMBL4980864 0.88 MAPT (0.44) FAAHTRPV1TERTGMNNUSP2
SCHEMBL28075413 0.87 ALDH1A1 (0.41)
SCHEMBL15070944 0.81 MAPT (0.46) TRPV1LMNAMAPTALOX15HSD17B10
SCHEMBL18019085 0.78 ALDH1A1 (0.42) LMNAMAPTALOX15RECQLBLM
SCHEMBL18548543 0.78 ENPP2 (0.60) ENPP2LPAR2
SCHEMBL18548545 0.78 ENPP2 (0.60) ENPP2LPAR2
SCHEMBL22804723 0.77 FAAH (0.50) FAAHTRPV1TERTGMNNUSP2

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
EP-3623364-A1 PRODRUG COMPOUNDS AND THEIR USES Ligand Pharmaceuticals, Inc. (US) 2020-03-18 EP disclosed