SCHEMBL8974972

SCHEMBL8974972

CC(C)CCC[N]c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
MMP9 P14780 1/20 0.34
LMNA P02545 2/20 0.33
PKM P14618 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
POLB P06746 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
AOC3 Q16853 2/20 0.32
NPY1R P25929 2/20 0.31
NPY5R Q15761 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
HPGD P15428 1/20 0.31

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 0.94 MMP9 (0.36) ALDH1A1MEN1HTTKMT2AMMP9
SCHEMBL8974965 0.92 MMP9 (0.39) ALDH1A1MEN1HTTKMT2AMMP9
SCHEMBL8974464 0.87 ALDH1A1 (0.37) ALDH1A1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL49576 0.76 LTA4H (0.38) ALDH1A1MEN1KMT2ASMN1; SMN2NOS3
SCHEMBL96272 0.74 LTA4H (0.38) ALDH1A1MEN1KMT2APKMSMN1; SMN2
SCHEMBL8029164 0.74 ALDH1A1 (0.50) ALDH1A1MEN1HTTKMT2ALMNA
SCHEMBL5140500 0.73 ALDH1A1 (0.39) ALDH1A1HTTNPC1RAB9ANOS3
SCHEMBL6717183 0.72 MEN1 (0.40) ALDH1A1MEN1HTTKMT2APKM
SCHEMBL96871 0.72 MEN1 (0.40) ALDH1A1MEN1HTTKMT2APKM
SCHEMBL1669437 0.72 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