SCHEMBL8977882

SCHEMBL8977882

Cc1cc(CCCCl)no1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
EGFR P00533 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 2/20 0.39
RECQL P46063 1/20 0.39
PPARA Q07869 1/20 0.36
PDE10A Q9Y233 1/20 0.35
GRIN2B Q13224 4/20 0.35
GRIN1 Q05586 2/20 0.35
TRPM8 Q7Z2W7 1/20 0.34
EPHX2 P34913 1/20 0.34
HSD17B10 Q99714 1/20 0.33
GABRA5 P31644 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
SCHEMBL18256058 0.96 ALDH1A1 (0.40) ALDH1A1EGFRGAAMAPTRECQL
SCHEMBL12461257 0.82 PPARA (0.51) ALDH1A1MAPTRECQLPPARATRPM8
SCHEMBL3799442 0.82 PPARA (0.47) ALDH1A1MAPTRECQLPPARATRPM8
SCHEMBL18256162 0.80 MAPT (0.39) ALDH1A1EGFRGAAMAPTRECQL
SCHEMBL25970261 0.80 PPARA (0.54) ALDH1A1MAPTRECQLPPARA
SCHEMBL8977881 0.80 MAPT (0.39) ALDH1A1EGFRGAAMAPTRECQL
SCHEMBL7504627 0.80 PPARA (0.54) ALDH1A1MAPTRECQLPPARA
SCHEMBL6391920 0.80 PPARA (0.40) ALDH1A1EGFRGAAMAPTRECQL
SCHEMBL9666153 0.80 MAPT (0.39) ALDH1A1EGFRGAAMAPTRECQL
SCHEMBL223491 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5523312-A ADMINISTERING TO MAMMALS STERLING WINTHROP INC. (US) 1996-06-04 US disclosed
US-5514692-A VIRICIDES STERLING WINTHROP INC. (US) 1996-05-07 US disclosed
WO-1996009822-A1 ANTIPICORNAVIRAL AGENTS SANOFI WINTHROP, INC. (US) 1996-04-04 WO disclosed