SCHEMBL8676459

SCHEMBL8676459

CCC(c1ccc(C#N)cc1)c1ccccc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
GAA P10253 2/20 0.45
KMT2A Q03164 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 1/20 0.42
EEF2K O00418 2/20 0.41
F2R P25116 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.40
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
EPHX2 P34913 1/20 0.39
BRS3 P32247 1/20 0.38
MEN1 O00255 1/20 0.38
MCL1 Q07820 1/20 0.38
SLC6A3 Q01959 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL9514695 0.88 LTB4R2 (0.43) ALDH1A1GAAKMT2ATDP1MAPT
SCHEMBL9514111 0.86 ALDH1A1 (0.49) ALDH1A1GAAKMT2ATDP1KDM4E
SCHEMBL5428376 0.84 ALDH1A1 (0.51) ALDH1A1GAAKMT2ATDP1MAPT
SCHEMBL133469 0.81 ALDH1A1 (0.52) ALDH1A1GAAKMT2ATDP1MAPT
SCHEMBL9644331 0.80 CRHBP (0.49) ALDH1A1GAAKMT2ATDP1MAPT
SCHEMBL8861249 0.80 EPHX2 (0.40) ALDH1A1GAAMAPTL3MBTL1KDM4E
SCHEMBL9641685 0.79 TSHR (0.50) ALDH1A1GAATDP1MAPTL3MBTL1
SCHEMBL17071854 0.79 TSHR (0.50) ALDH1A1GAATDP1MAPTL3MBTL1
SCHEMBL8676470 0.79 ALDH1A1 (0.40) ALDH1A1GAAKMT2ATDP1CYP2D6
SCHEMBL8578237 0.78 EPHX2 (0.48) ALDH1A1GAAKMT2AMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5720899-A Liquid crystalline compound, liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1998-02-24 US disclosed
US-5653911-A Liquid crystalline compound liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1997-08-05 US disclosed