SCHEMBL5489657

SCHEMBL5489657

CCOC(=O)c1ccc(C(=O)O)c(C)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.59
SMN1; SMN2 Q16637 4/20 0.51
RAB9A P51151 3/20 0.51
MAPT P10636 2/20 0.51
GABRA2 P47869 2/20 0.50
GABRB2 P47870 2/20 0.50
GABRP O00591 1/20 0.50
GABRD O14764 1/20 0.50
GABRA1 P14867 1/20 0.50
GABRB1 P18505 1/20 0.50
GABRG2 P18507 1/20 0.50
GABRB3 P28472 1/20 0.50
GABRA5 P31644 1/20 0.50
GABRA3 P34903 1/20 0.50
GABRA4 P48169 1/20 0.50
GABRE P78334 1/20 0.50
GABRA6 Q16445 1/20 0.50
GABRG1 Q8N1C3 1/20 0.50
GABRG3 Q99928 1/20 0.50
GABRQ Q9UN88 1/20 0.50

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
SCHEMBL4192112 0.90 CYP1A2 (0.62) CYP1A2SMN1; SMN2RAB9AMAPTGABRA5
SCHEMBL5264863 0.87 KDM4E (0.53) CYP1A2SMN1; SMN2RAB9AMAPTGABRA5
SCHEMBL28577809 0.83 GABRP (0.53) CYP1A2SMN1; SMN2RAB9AMAPTGABRA2
SCHEMBL1179292 0.81 CYP1A2 (0.65) CYP1A2SMN1; SMN2RAB9AMAPTGABRA2
SCHEMBL23530075 0.80 GABRP (0.62) CYP1A2SMN1; SMN2RAB9AMAPTGABRA2
SCHEMBL13933139 0.79 CYP1A2 (0.62) CYP1A2SMN1; SMN2RAB9AMAPTGABRA2
SCHEMBL1179778 0.78 CYP1A2 (0.61) CYP1A2SMN1; SMN2RAB9AMAPTGABRA2
SCHEMBL19306385 0.78 CYP1A2 (0.61) CYP1A2SMN1; SMN2RAB9AMAPTALDH1A1
SCHEMBL27285116 0.77 CYP1A2 (0.59) CYP1A2RAB9AMAPTGABRA2GABRB2
SCHEMBL13853230 0.77 CYP1A2 (0.59) CYP1A2SMN1; SMN2RAB9AMAPTALDH1A1

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-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed