SCHEMBL27767992

SCHEMBL27767992

CCC(=O)Oc1cccc(C2CNC3CCCCC3C2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.44
KMT2A Q03164 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
DPP4 P27487 1/20 0.35
HTR2C P28335 2/20 0.34
DRD2 P14416 3/20 0.34
F2 P00734 1/20 0.34
POLB P06746 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL1793285 0.82 ACHE (0.52) ACHEKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL1789986 0.81 ACHE (0.51) ACHEKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL3936937 0.78 NAAA (0.41) ACHEALDH1A1F2POLB
SCHEMBL13271217 0.71 CYP2C9 (0.45) ACHEKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL3406197 0.69 ACHE (0.52) ACHEKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL27768004 0.69 ACHE (0.47) ACHEKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL10782553 0.68 ACHE (0.71) ACHEKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL11444965 0.67 ACHE (0.69) ACHEKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL1787633 0.67 CYP3A4 (0.53) ACHEKMT2AMEN1ALDH1A1HTR2C
SCHEMBL1792243 0.66 KMO (0.54) ACHEKMT2AMEN1HTR2CPOLB

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