SCHEMBL5325555

SCHEMBL5325555

CC(=O)Oc1cc(OCC(=O)O)ccc1C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.53
PTGDR2 Q9Y5Y4 1/20 0.49
KDM4E B2RXH2 2/20 0.48
MCL1 Q07820 1/20 0.46
PTPN7 P35236 1/20 0.45
TSHR P16473 3/20 0.45
LMNA P02545 1/20 0.44
PPARD Q03181 1/20 0.43
MAPT P10636 2/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALOX15 P16050 2/20 0.42
HSD17B10 Q99714 1/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPK1 P28482 1/20 0.40

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
SCHEMBL4640545 0.85 SMN1; SMN2 (0.55) SMN1; SMN2PTGDR2MCL1PTPN7TSHR
SCHEMBL4640556 0.82 TSHR (0.56) SMN1; SMN2PTGDR2MCL1PTPN7TSHR
SCHEMBL4641630 0.81 SMN1; SMN2 (0.50) SMN1; SMN2PTGDR2MCL1PTPN7TSHR
SCHEMBL22140242 0.80 BACE1 (0.53) SMN1; SMN2KDM4ETSHRMAPTHSD17B10
SCHEMBL4640614 0.80 RXRA (0.53) SMN1; SMN2PTGDR2KDM4EPTPN7PPARD
SCHEMBL5321039 0.79 MCL1 (0.62) SMN1; SMN2PTGDR2KDM4EMCL1PTPN7
SCHEMBL4641530 0.79 SMN1; SMN2 (0.48) SMN1; SMN2PTGDR2MCL1PTPN7TSHR
SCHEMBL3930793 0.78 MCL1 (0.60) SMN1; SMN2PTGDR2KDM4EMCL1PTPN7
SCHEMBL3923991 0.78 SMN1; SMN2 (0.57) SMN1; SMN2PTGDR2KDM4EMCL1PTPN7
SCHEMBL17896566 0.77 SMN1; SMN2 (0.55) SMN1; SMN2PTGDR2KDM4EMCL1PTPN7

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-2007120012-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2007-10-25 WO disclosed