SCHEMBL7753046

SCHEMBL7753046

CCCCC[C@H]1CC[C@H](C2CCC(OCC)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 3/20 0.36
KMT2A Q03164 3/20 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
TP53 P04637 1/20 0.34
LSS P48449 2/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
CCR2 P41597 1/20 0.31
GAA P10253 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
SCHEMBL7753053 1.00 CYP1A2 (0.42) CYP1A2PKMHTTLMNAMAPK1
SCHEMBL9349253 1.00 CYP1A2 (0.42) CYP1A2PKMHTTLMNAMAPK1
SCHEMBL10824059 1.00 CYP1A2 (0.42) CYP1A2PKMHTTLMNAMAPK1
SCHEMBL4799760 1.00 CYP1A2 (0.42) CYP1A2PKMHTTLMNAMAPK1
SCHEMBL10485875 0.98 CYP1A2 (0.41) CYP1A2PKMHTTLMNAMAPK1
SCHEMBL10703742 0.98 CYP1A2 (0.41) CYP1A2PKMHTTLMNAMAPK1
SCHEMBL10706167 0.98 CYP1A2 (0.41) CYP1A2PKMHTTLMNAMAPK1
SCHEMBL10485906 0.98 CYP1A2 (0.41) CYP1A2PKMHTTLMNAMAPK1
SCHEMBL10703724 0.98 CYP1A2 (0.41) CYP1A2PKMHTTLMNAMAPK1
SCHEMBL10705049 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0718387-B1 A liquid crystal composition and a liquid crystal display element which contains it SHINETSU CHEMICAL CO (JP) 2001-03-14 EP disclosed
US-5762826-A Liquid crystal composition and a liquid crystal display element which contains it SHIN-ETSU CHEMICAL CO., LTD. (JP) 1998-06-09 US disclosed
EP-0718387-A1 A liquid crystal composition and a liquid crystal display element which contains it SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-06-26 EP 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
EP-0158252-A2 Liquid crystal phase MERCK PATENT GmbH (DE) 1985-10-16 EP disclosed