SCHEMBL9192102

SCHEMBL9192102

CCCC(C)C(O)CC(C)C(O)CC

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
TRPA1 O75762 1/20 0.36
TSHR P16473 3/20 0.35
METAP1 P53582 1/20 0.34
SPHK1 Q9NYA1 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
SCHEMBL276456 0.90
SCHEMBL13210367 0.90
SCHEMBL31508714 0.90
SCHEMBL10790556 0.90
SCHEMBL13210315 0.90
SCHEMBL11310066 0.83 TSHR (0.40) LMNATSHRMETAP1SPHK1
SCHEMBL11177408 0.81 TSHR (0.44) LMNATRPA1TSHRMETAP1SPHK1
SCHEMBL12834265 0.81 LMNA (0.38) LMNATRPA1TSHRMETAP1SPHK1
SCHEMBL30358249 0.80 METAP1 (0.37) LMNATSHRMETAP1SPHK1
SCHEMBL1301172 0.79 TSHR (0.47) LMNATRPA1TSHR

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
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