SCHEMBL8960479

SCHEMBL8960479

CC[C@@H]1CC(C)(C)C(=O)N1C(=O)CCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 2/20 0.44
MEN1 O00255 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
POLB P06746 2/20 0.42
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NAAA Q02083 1/20 0.41
FKBP1A P62942 1/20 0.41
FAAH O00519 3/20 0.40
S1PR1 P21453 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 2/20 0.40
BRD4 O60885 1/20 0.38

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
SCHEMBL8960581 0.84 NAAA (0.48) L3MBTL1NPC1TDP1POLBHPGD
SCHEMBL8960489 0.78 HSD17B10 (0.46) L3MBTL1HPGDCYP3A4ALDH1A1BRD4
SCHEMBL14540393 0.69 NAAA (0.52) L3MBTL1NPC1MEN1RAB9AKMT2A
SCHEMBL14646662 0.68 NPC1 (0.85) L3MBTL1NPC1MEN1RAB9AKMT2A
SCHEMBL14646675 0.68 NPC1 (0.85) L3MBTL1NPC1MEN1RAB9AKMT2A
SCHEMBL8537851 0.68 NAAA (0.48) L3MBTL1NPC1TDP1POLBHPGD
SCHEMBL7281001 0.68 NAAA (0.57) L3MBTL1NPC1TDP1POLBHPGD
SCHEMBL9556953 0.68 NAAA (0.57) L3MBTL1NPC1TDP1POLBHPGD
SCHEMBL7018288 0.68 NAAA (0.50) L3MBTL1NPC1TDP1POLBHPGD
SCHEMBL16591625 0.66 POLB (0.69) L3MBTL1NPC1MEN1KMT2ATDP1

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-0693058-A1 IMPROVEMENTS IN OR RELATING TO CHIRAL AUXILIARIES OXFORD ASYMMETRY LIMITED (GB) 1996-01-24 EP disclosed
WO-1994024104-A1 IMPROVEMENTS IN OR RELATING TO CHIRAL AUXILIARIES OXFORD ASYMMETRY LIMITED (GB) 1994-10-27 WO disclosed