SCHEMBL11705205

SCHEMBL11705205

Nc1cc(O)ccc1CCC(=O)O

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
NPSR1 Q6W5P4 1/20 0.46
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
TYR P14679 1/20 0.41
CHRNA7 P36544 1/20 0.41
FFAR1 O14842 2/20 0.40
FFAR4 Q5NUL3 2/20 0.40

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
SCHEMBL27553396 0.84 IAPP (0.46) TYRCHRNA7
SCHEMBL1000871 0.83 HPGD (0.55) POLBNPSR1HPGDCYP2C19FFAR1
SCHEMBL10931514 0.81 CAMK2A (0.51) NPSR1HPGD
SCHEMBL490491 0.81 POLB (0.67) POLBTYR
SCHEMBL29998634 0.81 POLB (0.67) POLBTYR
SCHEMBL31424460 0.80 KDM4E (0.46) POLBNPSR1HPGDCYP2C19FFAR1
SCHEMBL4885810 0.80 POLB (0.49) POLBNPSR1TYRCHRNA7FFAR1
SCHEMBL6888877 0.80 ALDH1A1 (0.43) POLB
SCHEMBL3652088 0.79 POLB (0.51) POLBNPSR1TYRCHRNA7FFAR1
SCHEMBL4374965 0.79 F13A1 (0.44) POLBTYR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016033337-A1 BIOCOMPATIBLE TISSUE GRAFT THE CLEVELAND CLINIC FOUNDATION (US) 2016-03-03 WO disclosed
US-4044125-A GLUTAMIC ACID, GLYCINE, ASPARTIC ACID, OR ALANINE HYDROCHLORIDE, LYSINE DIHYDROCHLORIDE ELI LILLY AND COMPANY (US) 1977-08-23 US disclosed