SCHEMBL3711254

SCHEMBL3711254

COC(=O)C(COCC1(C)CC1)N(C(=O)C1CC1)c1ccc(Cl)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FSCN1 Q16658 1/20 0.34
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
LMNA P02545 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
C5AR1 P21730 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
SCHEMBL3712560 0.88 FSCN1 (0.37) FSCN1SLC6A2SLC6A4KMT2AMEN1
SCHEMBL3805628 0.79 FSCN1 (0.36) FSCN1SLC6A2SLC6A4NPC1RAB9A
SCHEMBL3715485 0.69 SLC6A2 (0.45) FSCN1SLC6A2SLC6A4
SCHEMBL3711255 0.68 UGCG (0.54) ALDH1A1
SCHEMBL3712562 0.58 UGCG (0.54) ALDH1A1
SCHEMBL7227154 0.58 FSCN1 (0.46) FSCN1SLC6A2SLC6A4LMNAALDH1A1
SCHEMBL7636099 0.56 HSD17B1 (0.37) FSCN1KMT2AMEN1LMNANPC1
SCHEMBL6136395 0.56 FSCN1 (0.53) FSCN1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7570565 0.56 ALDH1A1 (0.47) FSCN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL31692229 0.56 PDK2 (0.46) FSCN1KMT2AMEN1LMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010091164-A1 INHIBITORS OF GLUCOSYLCERAMIDE SYNTHASE EXELIXIS, INC. (US) 2010-08-12 WO disclosed