SCHEMBL8974965

SCHEMBL8974965

CC(C)CCCCC[N]c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.39
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 2/20 0.33
HIF1A Q16665 1/20 0.33
EPAS1 Q99814 1/20 0.33
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
RARB P10826 1/20 0.31
PKM P14618 1/20 0.31
SIGMAR1 Q99720 2/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
POLB P06746 1/20 0.30
CTDSP1 Q9GZU7 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MAPK1 P28482 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
SCHEMBL8975275 0.98 MMP9 (0.36) MMP9ALDH1A1MEN1HTTKMT2A
SCHEMBL8974972 0.92 ALDH1A1 (0.37) MMP9ALDH1A1MEN1HTTKMT2A
SCHEMBL8974464 0.84 ALDH1A1 (0.37) ALDH1A1MAOASIGMAR1NPC1RAB9A
SCHEMBL1669437 0.78 MEN1 (0.40) ALDH1A1MEN1HTTKMT2APKM
SCHEMBL96871 0.78 MEN1 (0.40) ALDH1A1MEN1HTTKMT2APKM
SCHEMBL6542019 0.78 MEN1 (0.40) ALDH1A1MEN1HTTKMT2APKM
SCHEMBL5964912 0.78 MEN1 (0.40) ALDH1A1MEN1HTTKMT2APKM
SCHEMBL6716782 0.78 MEN1 (0.40) ALDH1A1MEN1HTTKMT2APKM
SCHEMBL6717183 0.78 MEN1 (0.40) ALDH1A1MEN1HTTKMT2APKM
SCHEMBL3542927 0.78 MEN1 (0.40) ALDH1A1MEN1HTTKMT2APKM

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
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