SCHEMBL9190994

SCHEMBL9190994

CCC(CC(=O)O)CC(C)(CC)CC

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.35
ADRA1A P35348 2/20 0.35
CACNB3 P54284 1/20 0.35
CACNA1C Q13936 1/20 0.35
PGR P06401 1/20 0.35
HTR2B P41595 1/20 0.35
CACNA2D2 Q9NY47 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
FFAR3 O14843 1/20 0.31
PGD P52209 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

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
SCHEMBL11582324 0.82 TSHR (0.30)
SCHEMBL11168775 0.80
SCHEMBL276400 0.79
SCHEMBL27804313 0.77 CACNA2D1 (0.36) CACNA2D1ADRA1ACACNB3CACNA1CPGR
SCHEMBL804682 0.77 CACNA2D1 (0.46) CACNA2D1ADRA1ACACNB3CACNA1CPGR
SCHEMBL20530395 0.77 TSHR (0.33) TDP1
SCHEMBL11761433 0.77 CACNA2D1 (0.46) CACNA2D1ADRA1ACACNB3CACNA1CPGR
SCHEMBL7917851 0.77 TSHR (0.33) TDP1
SCHEMBL27936230 0.77 CACNA2D1 (0.46) CACNA2D1ADRA1ACACNB3CACNA1CPGR
SCHEMBL27936231 0.77 CACNA2D1 (0.46) CACNA2D1ADRA1ACACNB3CACNA1CPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2908317-B1 Improvements in and relating to dielectric fluids M&I MAT LIMITED (GB) 2021-06-02 EP claimed
EP-0680463-A1 PROCESS FOR THE PRODUCTION OF PLASTICIZER AND POLYOL ESTERS EXXON CHEMICAL PATENTS INC. (US) 1995-11-08 EP disclosed
WO-1994017028-A1 PROCESS FOR THE PRODUCTION OF PLASTICIZER AND POLYOL ESTERS EXXON CHEMICAL PATENTS INC. (US) 1994-08-04 WO disclosed