SCHEMBL20280445

SCHEMBL20280445

CCc1ccc(C#Cc2ccc(C3CCC(C(N)CC)CC3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
SPHK1 Q9NYA1 4/20 0.37
ACACB O00763 4/20 0.36
CYP2A6 P11509 1/20 0.34
RET P07949 1/20 0.33
DPP4 P27487 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
EGLN3 Q9H6Z9 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
BRCA1 P38398 1/20 0.32

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
SCHEMBL18458501 0.87 SPHK1 (0.39) GRIA1GRIA2GRIA3SPHK1
SCHEMBL20929628 0.87 SPHK1 (0.39) GRIA1GRIA2GRIA3SPHK1KDM4E
SCHEMBL20160936 0.81 GRIA1 (0.51) GRIA1GRIA2GRIA3CYP2A6DPP4
SCHEMBL20280547 0.79 FFAR1 (0.34) GRIA1GRIA2GRIA3ACACBEGLN1
SCHEMBL21788435 0.77 SLC18A3 (0.36) SPHK1MEN1ALDH1A1MAPTKMT2A
SCHEMBL18458911 0.76 DRD2 (0.49) MEN1MAPTHPGDKMT2A
SCHEMBL18512741 0.75 NQO1 (0.42) ACACBMAPT
SCHEMBL7505735 0.75 CYP2C9 (0.51) SPHK1ACACBCYP2A6MEN1ALDH1A1
SCHEMBL6452019 0.75 CYP2C9 (0.51) SPHK1ACACBCYP2A6MEN1ALDH1A1
SCHEMBL8040935 0.75 ACACB (0.36) SPHK1ACACBCYP2A6RETMEN1

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
US-11174431-B2 Liquid crystal composition and liquid crystal display device DIC CORPORATION (JP) 2021-11-16 US disclosed
US-10913895-B2 Liquid crystal composition and liquid crystal display device DIC CORPORATION (JP) 2021-02-09 US disclosed
US-10913896-B2 Liquid crystal composition and liquid crystal display device using the same DIC CORPORATION (JP) 2021-02-09 US disclosed
US-10752838-B2 Liquid crystal composition and liquid crystal display device using the same DIC CORPORATION (JP) 2020-08-25 US disclosed
US-20180171229-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE DIC CORPORATION (JP) 2018-06-21 US disclosed
US-20180171234-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME DIC CORPORATION (JP) 2018-06-21 US disclosed