SCHEMBL7572744

SCHEMBL7572744

CCC(C)c1ccccc1N(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1.CCC(C)c1ccccc1N(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
S1PR1 P21453 2/20 0.34
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
MCL1 Q07820 1/20 0.32
ATM Q13315 1/20 0.32
NISCH Q9Y2I1 1/20 0.32
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TP53 P04637 1/20 0.31
RORC P51449 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL5187335 1.00 TSHR (0.42) TSHRS1PR1GAAMAPTPKM
SCHEMBL5809269 0.82 TSHR (0.52) TSHRMAPTHTTATMNISCH
SCHEMBL8531953 0.80 TSHR (0.46) TSHRMAPTATMNISCHLMNA
SCHEMBL4388491 0.80 TSHR (0.46) TSHRHTTATMNISCH
SCHEMBL13774495 0.76 TSHR (0.42) TSHRS1PR1GAAMAPTPKM
SCHEMBL5055700 0.76 CYP2C9 (0.39) TSHRS1PR1GAAPKMSMN1; SMN2
SCHEMBL24404669 0.75 TSHR (0.42) TSHRS1PR1MAPTLMNAMEN1
SCHEMBL25446015 0.72 MAPT (0.40) TSHRS1PR1MAPTLMNASMN1; SMN2
SCHEMBL12018923 0.71 TSHR (0.33) TSHRS1PR1MAPTHTTTP53
SCHEMBL24934080 0.71 TSHR (0.47) TSHRATMNISCHLMNA

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-1235117-A1 Imaging members Xerox Corporation (US) 2002-08-28 EP disclosed
US-6319645-B1 USEFUL IN ELECTROPHOTOGRAPHIC IMAGING AND PRINTING XEROX CORPORATION 2001-11-20 US disclosed