SCHEMBL11269531

SCHEMBL11269531

CCCCCCC[C@H]1CC[C@H](OC[C@H]2CC[C@H](C)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.37
▸ HTT P42858 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ EPHX1 P07099 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ LSS P48449 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ NAAA Q02083 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RECQL P46063 2/20 0.30
▸ GLA P06280 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
SCHEMBL11256711 1.00 CYP1A2 (0.37) CYP1A2HTTMAPK1LMNAMEN1
SCHEMBL11258621 1.00 CYP1A2 (0.37) CYP1A2HTTMAPK1LMNAMEN1
SCHEMBL11256709 1.00 CYP1A2 (0.37) CYP1A2HTTMAPK1LMNAMEN1
SCHEMBL11267760 1.00 CYP1A2 (0.37) CYP1A2HTTMAPK1LMNAMEN1
SCHEMBL11258619 1.00 CYP1A2 (0.37) CYP1A2HTTMAPK1LMNAMEN1
SCHEMBL11267764 1.00 CYP1A2 (0.37) CYP1A2HTTMAPK1LMNAMEN1
SCHEMBL11269534 1.00 CYP1A2 (0.37) CYP1A2HTTMAPK1LMNAMEN1
SCHEMBL11251816 0.98 CYP1A2 (0.38) CYP1A2HTTMAPK1LMNAMEN1
SCHEMBL11264843 0.98 CYP1A2 (0.38) CYP1A2HTTMAPK1LMNAMEN1
SCHEMBL11251817 0.98 CYP1A2 (0.38) CYP1A2HTTMAPK1LMNAMEN1

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
US-4361494-A Anisotropic cyclohexyl cyclohexylmethyl ethers BBC BROWN, BOVERI, & COMPANY, LIMITED (CH) 1982-11-30 — — US disclosed
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