SCHEMBL11210312

SCHEMBL11210312

CCCC1CCC(c2ccc(-c3ccc(C4CCC(COC)CC4)cc3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.52
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
MEN1 O00255 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 1/20 0.50
ESR2 Q92731 5/20 0.41
DRD2 P14416 1/20 0.37
ESR1 P03372 3/20 0.37
CYP3A4 P08684 2/20 0.37
DGAT1 O75907 3/20 0.36
SOAT1 P35610 1/20 0.36
HTT P42858 1/20 0.35
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.34
SPHK1 Q9NYA1 1/20 0.34
CYP2D6 P10635 1/20 0.33

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
SCHEMBL10862270 1.00 CYP2C9 (0.52) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL16803034 0.91 CYP2C9 (0.43) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL10014947 0.90 CYP2C9 (0.43) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL4796050 0.88 CYP2C9 (0.63) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL2383177 0.88 CYP2C9 (0.63) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL8216711 0.86 OPRL1 (0.41) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL10860760 0.86 CYP2C9 (0.51) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL8220254 0.86 CYP2C9 (0.43) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL8216995 0.86 CYP2C9 (0.43) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL8370160 0.85 CYP2C9 (0.41) CYP2C9ALDH1A1MAPTLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-58219137-A None JP disclosed
EP-2883938-B1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE DAINIPPON INK & CHEMICALS (JP) 2017-10-25 EP disclosed
US-9650572-B2 Liquid crystal composition, liquid crystal display device, and liquid crystal display DIC CORPORATION (JP) 2017-05-16 US disclosed
US-9650572-B2 Liquid crystal composition, liquid crystal display device, and liquid crystal display DIC CORPORATION (JP) 2017-05-16 US disclosed
US-20160060524-A1 LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY DEVICE, AND LIQUID CRYSTAL DISPLAY DIC CORPORATION (JP) 2016-03-03 US disclosed
US-20160060524-A1 LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY DEVICE, AND LIQUID CRYSTAL DISPLAY DIC CORPORATION (JP) 2016-03-03 US disclosed
EP-2883938-A1 LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY ELEMENT, AND LIQUID CRYSTAL DISPLAY DIC Corporation (JP) 2015-06-17 EP disclosed
JP-S58219137-A 4-(TRANS-4-ALKYLOXYMETHYLCYCLOHEXYL)-4'-(TRANS-4- ALKYLCYCLOHEXYL)BIPHENYLS CHISSO CORP 1983-12-20 JP disclosed