SCHEMBL9751895

SCHEMBL9751895

CCCCC[C@H]1CC[C@H](c2ccccc2-c2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.41
MAPT P10636 2/20 0.41
BRD4 O60885 1/20 0.40
PTGS2 P35354 1/20 0.40
MEN1 O00255 2/20 0.39
MAPK1 P28482 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL29906122 1.00 GAA (0.41) GAAMAPTBRD4PTGS2MEN1
SCHEMBL262121 1.00 GAA (0.41) GAAMAPTBRD4PTGS2MEN1
SCHEMBL7912542 0.95 GAA (0.43) GAAMAPTBRD4PTGS2MEN1
SCHEMBL262956 0.95 GAA (0.43) GAAMAPTBRD4PTGS2MEN1
SCHEMBL8416013 0.91 BCHE (0.44) GAAMAPTMEN1MAPK1KMT2A
SCHEMBL263138 0.89 BRD4 (0.43) MAPTBRD4PTGS2MEN1MAPK1
SCHEMBL9845089 0.89 BRD4 (0.43) MAPTBRD4PTGS2MEN1MAPK1
SCHEMBL30475373 0.89 BRD4 (0.43) MAPTBRD4PTGS2MEN1MAPK1
SCHEMBL8416015 0.89 CHRNB2 (0.45) GAAMAPTMEN1MAPK1KMT2A
SCHEMBL263717 0.89 PTGS2 (0.39) GAAMAPTPTGS2MEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104704402-B Photochromic article with two photochromic dichromatic layers being at least partly crosslinked 光学转变公司 2018-01-16 CN disclosed
CN-104755970-B The photochromic article of photochromic dichroism and fixed polarizing layer with least part cross polarization 光学转变公司 2018-01-16 CN disclosed
EP-0445274-A1 LIQUID CRYSTALLINE MEDIUM. MERCK PATENT GMBH (DE) 1991-09-11 EP disclosed
EP-0414048-A2 Matrix-liquid crystal display MERCK PATENT GmbH (DE) 1991-02-27 EP disclosed
EP-0365962-A1 Matrix-type liquid-crystal display MERCK PATENT GmbH (DE) 1990-05-02 EP disclosed
EP-0169327-A2 Phenylisothiocyanates F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1986-01-29 EP disclosed
EP-0149208-A2 Ethane derivatives MERCK PATENT GmbH (DE) 1985-07-24 EP disclosed
EP-0088907-A1 Halogen biphenyl derivatives MERCK PATENT GmbH (DE) 1983-09-21 EP disclosed
EP-0030277-A1 Partially hydrogenated oligo-1,4-phenylenes, dielectrics containing them and electro-optical indicating device MERCK PATENT GmbH (DE) 1981-06-17 EP disclosed