SCHEMBL2484791

SCHEMBL2484791

CCOC(=O)c1cc(F)ccc1SCCCC(=O)N1CCc2ccc(OC)cc21.CCOC(=O)c1ccccc1SCCCC(=O)N1CCc2ccc(OC)cc21

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
RAB9A P51151 6/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
NPC1 O15118 5/20 0.41
MAPK1 P28482 1/20 0.41
NOTUM Q6P988 1/20 0.40
TSHR P16473 2/20 0.39
HSD17B10 Q99714 1/20 0.39
BIRC2 Q13490 1/20 0.39
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 4/20 0.37
TP53 P04637 2/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 2/20 0.37
HTR2C P28335 1/20 0.37
PKM P14618 1/20 0.37
LMNA P02545 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
SCHEMBL2486917 0.97 MAPT (0.39) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL418447 0.96 BIRC2 (0.41) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL413397 0.94 RAB9A (0.46) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL417755 0.86 BIRC2 (0.44) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL418454 0.86 MAPT (0.48) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL417533 0.81 MAPT (0.50) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL413454 0.81 MAPT (0.50) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL2486807 0.81 HTR2C (0.31) MAPTSMN1; SMN2TSHRHSD17B10KMT2A
SCHEMBL2486415 0.81 MAPT (0.39) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL412375 0.80 MAPT (0.52) MAPTRAB9ASMN1; SMN2NPC1MAPK1

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-2376431-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2011-10-19 EP disclosed
WO-2010066847-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS CELLVIR (FR) 2010-06-17 WO disclosed