SCHEMBL10895264

SCHEMBL10895264

CCCCC[C@H]1CC[C@H](c2cc(F)c(CCC)c(F)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
MAPT P10636 3/20 0.36
GAA P10253 1/20 0.36
SPHK1 Q9NYA1 5/20 0.35
CYP2C9 P11712 2/20 0.35
CYP1A2 P05177 3/20 0.33
ESR2 Q92731 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
SPHK2 Q9NRA0 1/20 0.32

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
SCHEMBL10895268 1.00 MEN1 (0.37) MEN1KMT2AMAPTGAASPHK1
SCHEMBL10896208 0.95 CYP1A2 (0.38) MEN1KMT2AMAPTGAASPHK1
SCHEMBL10896214 0.95 CYP1A2 (0.38) MEN1KMT2AMAPTGAASPHK1
SCHEMBL10892109 0.94 SPHK1 (0.38) MEN1KMT2AMAPTGAASPHK1
SCHEMBL10895466 0.94 MEN1 (0.37) MEN1KMT2AMAPTGAASPHK1
SCHEMBL10895455 0.94 MEN1 (0.37) MEN1KMT2AMAPTGAASPHK1
SCHEMBL10892117 0.94 SPHK1 (0.38) MEN1KMT2AMAPTGAASPHK1
SCHEMBL10895954 0.91 SPHK1 (0.38) MEN1KMT2AMAPTGAASPHK1
SCHEMBL10895961 0.91 SPHK1 (0.38) MEN1KMT2AMAPTGAASPHK1
SCHEMBL10895326 0.90 MEN1 (0.38) MEN1KMT2AMAPTGAASPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0090183-B1 POLYHALOGENATED AROMATIC COMPOUNDS MERCK PATENT GmbH (DE) 1986-02-19 EP disclosed
US-4551264-A Polyhalogenoaromatic compounds for liquid crystal compositions MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1985-11-05 US disclosed
EP-0105872-A4 NOVEL COSMETIC COMPOSITIONS CONTAINING PRENYLAMINE AND A PROCESS FOR THEIR PREPARATION. CAOLA KOZMETIKAI (HU) 1985-07-01 EP disclosed
EP-0105872-A1 NOVEL COSMETIC COMPOSITIONS CONTAINING PRENYLAMINE AND A PROCESS FOR THEIR PREPARATION. CAOLA KOZMETIKAI (HU) 1984-04-25 EP disclosed
WO-1983003755-A1 NOVEL COSMETIC COMPOSITIONS CONTAINING PRENYLAMINE AND A PROCESS FOR THEIR PREPARATION CAOLA KOZMETIKAI ÉS HÁZTARTÄSVEGYIPARI VÁLLALAT (HU) 1983-11-10 WO disclosed
EP-0090183-A1 Polyhalogenated aromatic compounds MERCK PATENT GmbH (DE) 1983-10-05 EP disclosed