SCHEMBL6444342

SCHEMBL6444342

CC(C)(CC(=O)O)C1OCC2(CO1)COC(C(C)(C)CC(=O)O)OC2=O

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31

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
SCHEMBL29512346 0.71
SCHEMBL7601706 0.64 HMGCR (0.42) HMGCRCHRM1TBXA2RADRA1A
SCHEMBL28921503 0.64
SCHEMBL28692408 0.60 HMGCR (0.31) HMGCRCHRM1TBXA2RADRA1A
SCHEMBL4879800 0.60
SCHEMBL3516359 0.59 HMGCR (0.46) HMGCRCHRM1TBXA2RADRA1A
SCHEMBL31711213 0.57 HTR7 (0.33)
SCHEMBL5309982 0.54 HMGCR (0.39) HMGCRCHRM1TBXA2RADRA1A
SCHEMBL24380152 0.54 HMGCR (0.35) HMGCRCHRM1TBXA2RADRA1A
SCHEMBL9858878 0.54 ALDH1A1 (0.56) HMGCRCHRM1TBXA2RADRA1A

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-1321491-B1 Polyester resin composition MITSUBISHI GAS CHEMICAL CO (JP) 2005-03-02 EP claimed