SCHEMBL11219703

SCHEMBL11219703

C=CCC(CC1CO1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.47
GRIK2 Q13002 2/20 0.47
CPA1 P15085 1/20 0.46
ALDH1A1 P00352 2/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL1398167 0.86 GRIK1 (0.35) GRIK1GRIK2CPA1ALDH1A1
SCHEMBL11226676 0.84 GRIK1 (0.43) GRIK1GRIK2CPA1ALDH1A1CYP2C19
SCHEMBL6048423 0.78 GRIK1 (0.50) GRIK1GRIK2
SCHEMBL6048425 0.78 GRIK1 (0.50) GRIK1GRIK2
SCHEMBL4346549 0.77 GRIK1 (0.51) GRIK1GRIK2ALDH1A1TDP1
SCHEMBL4346550 0.77 GRIK1 (0.51) GRIK1GRIK2ALDH1A1TDP1
SCHEMBL891727 0.76 GRIK1 (0.64) GRIK1GRIK2CPA1CYP2C19TDP1
SCHEMBL20788028 0.76 FOLH1 (0.43) CPA1TDP1
SCHEMBL21218827 0.76 CA2 (0.42) ALDH1A1TDP1
SCHEMBL10378555 0.76 CA2 (0.42) ALDH1A1TDP1

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
US-4332694-A IMMOBILIZATION OF ENZYMES CESKOSLOVENSKA AKADEMIE VED (CS) 1982-06-01 US claimed
US-4332694-A IMMOBILIZATION OF ENZYMES CESKOSLOVENSKA AKADEMIE VED (CS) 1982-06-01 US disclosed