SCHEMBL4804342

SCHEMBL4804342

CCCCC[C@H]1CC[C@H](C2CCC(OC)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.42
▸ PKM P14618 1/20 0.36
▸ HTT P42858 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ DAO P14920 1/20 0.36
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ NAAA Q02083 1/20 0.35
▸ EPHX1 P07099 1/20 0.34
▸ SPHK1 Q9NYA1 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ LSS P48449 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ HPGD P15428 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
SCHEMBL7512292 1.00 CYP1A2 (0.42) CYP1A2PKMHTTLMNAMAPK1
SCHEMBL5364764 1.00 CYP1A2 (0.42) CYP1A2PKMHTTLMNAMAPK1
SCHEMBL19721902 1.00 CYP1A2 (0.42) CYP1A2PKMHTTLMNAMAPK1
SCHEMBL9351465 1.00 CYP1A2 (0.42) CYP1A2PKMHTTLMNAMAPK1
SCHEMBL10486301 0.98 CYP1A2 (0.41) CYP1A2PKMHTTLMNAMAPK1
SCHEMBL10485965 0.98 CYP1A2 (0.41) CYP1A2PKMHTTLMNAMAPK1
SCHEMBL10702793 0.98 CYP1A2 (0.41) CYP1A2PKMHTTLMNAMAPK1
SCHEMBL10708259 0.98 CYP1A2 (0.41) CYP1A2PKMHTTLMNAMAPK1
SCHEMBL19722348 0.98 CYP1A2 (0.41) CYP1A2PKMHTTLMNAMAPK1
SCHEMBL10486036 0.98 CYP1A2 (0.41) CYP1A2PKMHTTLMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7445818-B2 Matrix liquid crystal display MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-11-04 — — US disclosed
US-20070275182-A1 Matrix liquid crystal display WEBER GEORG 2007-11-29 — — US disclosed
EP-0833876-B1 NEMATIC LIQUID-CRYSTAL COMPOSITION MERCK PATENT GMBH (DE) 2000-09-13 — — EP disclosed
US-5951913-A Liquid crystal compositions comprising silacyclohexane compounds SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-09-14 — — US disclosed
EP-0833876-A1 NEMATIC LIQUID-CRYSTAL COMPOSITION MERCK PATENT GmbH (DE) 1998-04-08 — — EP disclosed
EP-0768361-A1 Liquid crystal composition and liquid crystal display element comprising the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 1997-04-16 — — EP disclosed
WO-1997000924-A1 NEMATIC LIQUID-CRYSTAL COMPOSITION MERCK PATENT GMBH (DE) 1997-01-09 — — WO disclosed
EP-0315050-B1 ALCENYL BICYCLOHEXANES F. HOFFMANN-LA ROCHE AG (CH) 1993-09-01 — — EP disclosed
US-5013477-A Alkenylbicyclohexane liquid crystals HOFFMANN-LA ROCHE INC. (US) 1991-05-07 — — US disclosed
EP-0302916-A1 ELECTRO-OPTICAL DISPLAY ELEMENT. MERCK PATENT GMBH (DE) 1989-02-15 — — EP disclosed
WO-1988006178-A1 ELECTRO-OPTICAL DISPLAY ELEMENT MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1988-08-25 — — WO disclosed
WO-1987005293-A2 CYCLOHEXANE DERIVATES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1987-09-11 — — WO disclosed
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