SCHEMBL27768004

SCHEMBL27768004

CCC(=O)Oc1cccc(C2CNCCC2C)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.47
MAPT P10636 2/20 0.43
PKM P14618 1/20 0.43
HTR2C P28335 2/20 0.39
SSTR1 P30872 2/20 0.39
SSTR4 P31391 2/20 0.39
KMT2A Q03164 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 2/20 0.36
THRB P10828 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SLC9A1 P19634 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL13451995 0.79 ACHE (0.43) ACHEMAPTPKMHTR2CSSTR1
SCHEMBL3936577 0.76 SLC7A5 (0.41) MAPTPKMSSTR1SSTR4ALDH1A1
SCHEMBL1793285 0.74 ACHE (0.52) ACHEHTR2CKMT2ASMN1; SMN2MEN1
SCHEMBL1789986 0.73 ACHE (0.51) ACHEHTR2CKMT2ASMN1; SMN2MEN1
SCHEMBL10782553 0.71 ACHE (0.71) ACHEMAPTKMT2ASMN1; SMN2MEN1
SCHEMBL12652935 0.70 MAPT (0.71) MAPTPKMHTR2CALDH1A1SLC9A1
SCHEMBL12617862 0.70 MAPT (0.71) MAPTPKMHTR2CALDH1A1SLC9A1
SCHEMBL19341986 0.70 KDM1A (0.50) MAPTPKMSLC6A2SLC6A4
SCHEMBL19908542 0.70 KDM1A (0.50) MAPTPKMSLC6A2SLC6A4
SCHEMBL11444965 0.69 ACHE (0.69) ACHEMAPTKMT2ASMN1; SMN2MEN1

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
CN-101490001-A Substituted phenylacetic acids as DP-2 antagonists ICOS CORP (US) 2009-07-22 CN disclosed