SCHEMBL8974464

SCHEMBL8974464

CC(C)CC[N]c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
AOC3 Q16853 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
POLB P06746 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RIPK1 Q13546 1/20 0.32
TAAR1 Q96RJ0 2/20 0.32
MAOA P21397 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
HTR2A P28223 1/20 0.32

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
SCHEMBL8974972 0.87 ALDH1A1 (0.37) ALDH1A1AOC3NPC1RAB9ASMN1; SMN2
SCHEMBL8975275 0.85 MMP9 (0.36) ALDH1A1AOC3NPC1RAB9ASMN1; SMN2
SCHEMBL8974965 0.84 MMP9 (0.39) ALDH1A1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL8029164 0.77 ALDH1A1 (0.50) ALDH1A1NPC1RAB9ANOS3NOS1
SCHEMBL5140500 0.76 ALDH1A1 (0.39) ALDH1A1NPC1RAB9ANOS3NOS1
SCHEMBL7794122 0.75 CA12 (0.42) AOC3SMN1; SMN2NOS3NOS1SLC6A4
SCHEMBL95534 0.73 ALDH1A1 (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2NOS3
SCHEMBL22084102 0.71 SMN1; SMN2 (0.36) ALDH1A1KDM4ENPSR1NPC1RAB9A
SCHEMBL49576 0.70 LTA4H (0.38) ALDH1A1NPSR1SMN1; SMN2NOS3NOS1
SCHEMBL1720891 0.69 ALDH1A1 (0.41) ALDH1A1NPC1NOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0597287-B1 Process for the preparation of anthraquinones BASF AG (DE) 1996-04-10 EP disclosed
US-5387704-A Preparation of anthraquinones BASF AKTIENGESELLSCHAFT (DE) 1995-02-07 US disclosed
EP-0597287-A1 Process for the preparation of anthraquinones BASF Aktiengesellschaft (DE) 1994-05-18 EP disclosed
EP-0114833-A1 CARRIER SURFACE FOR DRY THERMAL PRINTING OF CELLULOSE FIBERS SICPA HOLDING S.A. (CH) 1984-08-08 EP disclosed
WO-1984000325-A1 CARRIER SURFACE FOR DRY THERMAL PRINTING OF CELLULOSE FIBERS MEHL WOLFGANG (CH) 1984-02-02 WO disclosed