SCHEMBL7302669

SCHEMBL7302669

CC(C)C(C#N)(CCCCC(=O)O)c1cccs1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.42
EBP Q15125 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 1/20 0.35
LTB4R Q15722 5/20 0.34
CTSC P53634 2/20 0.34
FFAR1 O14842 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPC1 O15118 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
KIF11 P52732 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL14432518 0.91 CTSC (0.36) HPGDEBPSIGMAR1L3MBTL1TSHR
SCHEMBL5226414 0.91 CTSC (0.36) HPGDEBPSIGMAR1L3MBTL1TSHR
SCHEMBL7310949 0.88 L3MBTL1 (0.37) HPGDEBPSIGMAR1L3MBTL1TSHR
SCHEMBL5235546 0.83 L3MBTL1 (0.39) EBPSIGMAR1L3MBTL1TSHRCTSC
SCHEMBL5232528 0.82 KIF11 (0.37) HPGDEBPSIGMAR1L3MBTL1CTSC
SCHEMBL6013626 0.82 KIF11 (0.37) HPGDEBPSIGMAR1L3MBTL1CTSC
SCHEMBL5232535 0.82 KIF11 (0.37) HPGDEBPSIGMAR1L3MBTL1CTSC
SCHEMBL14432523 0.81 CTSC (0.37) HPGDL3MBTL1TSHRCTSCALDH1A1
SCHEMBL7304642 0.80 EBP (0.54) EBPSIGMAR1L3MBTL1TSHRGAA
SCHEMBL5227717 0.80 L3MBTL1 (0.39) EBPSIGMAR1L3MBTL1TSHRGAA

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
EP-1041064-A2 N-substituted alpha aminoacid amides as calcium channel modulators ELI LILLY AND COMPANY LIMITED (GB) 2000-10-04 EP disclosed
EP-0805147-A1 Novel N-substituted alpha aminoacid amides as calcium channel modulators LILLY INDUSTRIES LIMITED (GB) 1997-11-05 EP disclosed