SCHEMBL7207810

SCHEMBL7207810

COc1cc(OC)c(CC(=O)c2ccc(C(C)C)[c]c2C(C)C)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 4/20 0.41
ALDH1A1 P00352 2/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
ATM Q13315 1/20 0.37
PKM P14618 1/20 0.37
TTR P02766 1/20 0.36
PTPN1 P18031 1/20 0.36

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
SCHEMBL8701443 0.83 HSD17B10 (0.51) SMN1; SMN2LMNAHTTRAB9ANPC1
SCHEMBL7212819 0.79 TTR (0.53) SMN1; SMN2LMNAHTTMAPTKMT2A
SCHEMBL7207814 0.78 NPC1 (0.39) SMN1; SMN2LMNAHTTRAB9ANPC1
SCHEMBL7206345 0.77 GABRA1 (0.41) SMN1; SMN2LMNAKMT2AMEN1CYP3A4
SCHEMBL7212856 0.74 AKR1B1 (0.41) LMNAHTTALDH1A1TP53MAPT
SCHEMBL7206388 0.72 TSHR (0.41) SMN1; SMN2LMNAHTTALDH1A1TP53
SCHEMBL7109320 0.69 FABP3 (0.35)
SCHEMBL7211115 0.68 CYP1A1 (0.45) RAB9ANPC1ALDH1A1MAPTKMT2A
SCHEMBL7207616 0.68 SMN1; SMN2 (0.37) SMN1; SMN2LMNAHTTRAB9ANPC1
SCHEMBL1599400 0.66 HSD17B10 (0.56) SMN1; SMN2LMNAALDH1A1MAPTCYP3A4

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
EP-0841913-B1 USE OF SULFAMIC ACID DERIVATIVES, ACYL SULFONAMIDES OR SULFONYL CARBAMATES FOR THE MANUFACTURE OF A MEDICAMENT FOR LOWERING LIPOPROTEIN LEVELS WARNER LAMBERT CO (US) 2003-02-05 EP claimed