SCHEMBL5608630

SCHEMBL5608630

CCCCc1ccc(N(c2ccc(C)cc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
LMNA P02545 2/20 0.49
GAA P10253 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 1/20 0.49
HPGD P15428 1/20 0.49
ALOX12 P18054 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CALM1 P0DP23 1/20 0.49
ACHE P22303 1/20 0.48
HTT P42858 1/20 0.47
ALOX5 P09917 1/20 0.45
AOC3 Q16853 2/20 0.45
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44

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
SCHEMBL8943791 0.93 CALM1 (0.55) MAPTLMNAGAAALDH1A1MEN1
SCHEMBL16492000 0.92 RELA (0.57) MAPTLMNAGAAALDH1A1MEN1
SCHEMBL16489741 0.92 RELA (0.57) MAPTLMNAGAAALDH1A1MEN1
SCHEMBL16489731 0.92 RELA (0.57) MAPTLMNAGAAALDH1A1MEN1
SCHEMBL12313741 0.88 CA2 (0.52) LMNAALDH1A1HPGDSMN1; SMN2ACHE
SCHEMBL12313686 0.88 CA2 (0.52) LMNAALDH1A1HPGDSMN1; SMN2ACHE
SCHEMBL12313679 0.88 CA2 (0.52) LMNAALDH1A1HPGDSMN1; SMN2ACHE
SCHEMBL12593396 0.88 CA2 (0.52) LMNAALDH1A1HPGDSMN1; SMN2ACHE
SCHEMBL4570447 0.88 CA2 (0.52) LMNAALDH1A1HPGDSMN1; SMN2ACHE
SCHEMBL12313700 0.88 CA2 (0.52) LMNAALDH1A1HPGDSMN1; SMN2ACHE

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-1354887-B1 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INST TECHNOLOGY (US) 2007-04-25 EP disclosed
EP-1097158-B1 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INST TECHNOLOGY (US) 2006-01-25 EP disclosed