SCHEMBL8093380

SCHEMBL8093380

CCc1cc[c]c(-c2cccc(C)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
NOTUM Q6P988 2/20 0.37
HEXA P06865 1/20 0.37
HEXB P07686 1/20 0.37
TLR8 Q9NR97 1/20 0.36
ACHE P22303 1/20 0.35
RAB9A P51151 1/20 0.34
BCL2 P10415 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RAPGEF4 Q8WZA2 1/20 0.34
MAPK14 Q16539 1/20 0.34
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL6778363 0.88 NOTUM (0.46) TP53ALDH1A1NOTUMBCL2RAPGEF4
SCHEMBL1371003 0.82 TP53 (0.43) TP53MAPTALDH1A1PKMNOTUM
SCHEMBL5779452 0.82 ACHE (0.44) TP53MAPTALDH1A1HPGDNOTUM
SCHEMBL5320671 0.81 HSD17B10 (0.33) TP53MAPTALDH1A1GAAHPGD
SCHEMBL9794569 0.78 NOTUM (0.35) TP53MAPTALDH1A1NOTUMTSHR
SCHEMBL15067982 0.78 TRPA1 (0.39) TP53MAPTALDH1A1NOTUMRAB9A
SCHEMBL8088676 0.77 NOTUM (0.39) TP53MAPTALDH1A1NOTUMRAB9A
SCHEMBL8081466 0.76 ACHE (0.50) TP53HPGDNOTUMACHERAB9A
SCHEMBL5217872 0.76 ACHE (0.50) ACHERAB9AL3MBTL1
SCHEMBL716056 0.75 TP53 (0.38) TP53MAPTALDH1A1PKMNOTUM

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-1051394-A1 POTASSIUM CHANNEL INHIBITORS Icagen, Inc. (US) 2000-11-15 EP disclosed
WO-1999037607-A1 POTASSIUM CHANNEL INHIBITORS ICAGEN, INC. (US) 1999-07-29 WO disclosed