SCHEMBL8466471

SCHEMBL8466471

CC(C)(C)CC(C)(C)[C@H](CC(=O)O)P=O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PGD P52209 1/20 0.34
SLC22A6 Q4U2R8 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
GPR84 Q9NQS5 4/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
HMGCR P04035 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30
ADRA1A P35348 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
SCHEMBL8466473 1.00 PGD (0.34) PGDSLC22A6TDP1GPR84SMN1; SMN2
SCHEMBL7926313 0.80 GABRP (0.38)
SCHEMBL7929815 0.80 GABRP (0.38)
SCHEMBL8075218 0.80 GABRP (0.38)
SCHEMBL544795 0.72 GABRR1 (0.33) PGDSLC22A6TDP1SMN1; SMN2HMGCR
SCHEMBL7927452 0.71 SLC22A6 (0.32) PGDSLC22A6TDP1SMN1; SMN2HMGCR
SCHEMBL8466475 0.69 PGD (0.33) PGDSLC22A6TDP1
SCHEMBL6272022 0.68 FOLH1 (0.41)
SCHEMBL8144822 0.64 GABRP (0.34)
SCHEMBL28266411 0.64 CPT2 (0.37)

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
JP-11228587-A None JP disclosed
JP-H11228587-A OPTICALLY ACTIVE PHOSPHINE OXIDE-CARBOXYLIC ACID AND ITS PRODUCTION NIPPON CHEM IND CO LTD 1999-08-24 JP disclosed