SCHEMBL20929628

SCHEMBL20929628

CCc1ccc(C2CCC(C3CCC(C(N)CC)CC3)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 12/20 0.39
CYP2C9 P11712 1/20 0.33
SPHK2 Q9NRA0 7/20 0.32
GRIA1 P42261 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA3 P42263 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
BRCA1 P38398 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL18458501 0.91 SPHK1 (0.39) SPHK1CYP2C9SPHK2GRIA1GRIA2
SCHEMBL20280445 0.87 GRIA1 (0.38) SPHK1GRIA1GRIA2GRIA3ALDH1A1
SCHEMBL18800271 0.86 SLC18A3 (0.34) SPHK1CYP2C9GRIA1GRIA2GRIA3
SCHEMBL18458889 0.86 SLC18A3 (0.34) SPHK1CYP2C9ALDH1A1MAPTMEN1
SCHEMBL19619424 0.86 SPHK1 (0.47) SPHK1CYP2C9GRIA1GRIA2GRIA3
SCHEMBL18458741 0.85 DPP4 (0.40) SPHK1
SCHEMBL18458906 0.85 DRD2 (0.45) CYP2C9MAPTMEN1KMT2ALMNA
SCHEMBL19415926 0.83 SPHK1 (0.36) SPHK1CYP2C9SPHK2
SCHEMBL18458707 0.82 DRD2 (0.47) ALDH1A1MAPT
SCHEMBL18458611 0.81 KDM1A (0.43) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190119573-A1 COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE DIC CORPORATION (JP) 2019-04-25 US disclosed