SCHEMBL11208680

SCHEMBL11208680

COC(=O)C1C(OC(=O)O)C1(C)C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
CCR6 P51684 1/20 0.33
ATM Q13315 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP1A2 P05177 1/20 0.30
HIF1A Q16665 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
SCHEMBL11211754 0.82 CCR6 (0.32) HTTCCR6ATM
SCHEMBL11294080 0.78 APLNR (0.30)
SCHEMBL2690895 0.74 HTT (0.35) HTTCCR6ATMALDH1A1LMNA
SCHEMBL10342515 0.74 APLNR (0.36)
SCHEMBL11097199 0.74 APLNR (0.36)
SCHEMBL2690901 0.74 HTT (0.35) HTTCCR6ATMALDH1A1LMNA
SCHEMBL2690897 0.74 HTT (0.35) HTTCCR6ATMALDH1A1LMNA
SCHEMBL27561661 0.73
SCHEMBL10329694 0.71 PPM1B (0.35) HTTCCR6ATMALDH1A1LMNA
SCHEMBL1261691 0.71 PPM1B (0.35) HTTCCR6ATMALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0031915-B1 PROCESS FOR THE PRODUCTION OF HALOALKENES BAYER AG (DE) 1983-05-25 EP disclosed
EP-0019719-B1 PROCESS FOR PREPARING ALKENES, NOVEL INTERMEDIATES FOR THEIR PREPARATION AND PROCESS FOR PREPARING THEM BAYER AG (DE) 1982-07-21 EP disclosed
EP-0031915-A1 Process for the production of haloalkenes BAYER AG (DE) 1981-07-15 EP disclosed
EP-0019719-A1 Process for preparing alkenes, novel intermediates for their preparation and process for preparing them BAYER AG (DE) 1980-12-10 EP disclosed