SCHEMBL7454492

SCHEMBL7454492

COc1o[c]c2cccc(-c3cnccn3)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.36
ADRA1B P35368 2/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
NR4A1 P22736 1/20 0.34
ESR2 Q92731 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
GRM5 P41594 1/20 0.33
ALOX5AP P20292 2/20 0.33
FEN1 P39748 2/20 0.33
RECQL P46063 2/20 0.33
HTT P42858 1/20 0.33
TYK2 P29597 2/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP19A1 P11511 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL7110737 0.84 SMN1; SMN2 (0.39) ADRA1AADRA1BMAPK1ALDH1A1POLB
SCHEMBL7447660 0.76 ADRA1A (0.36) ADRA1AADRA1BMAPK1ALDH1A1POLB
SCHEMBL7451102 0.68 ALDH1A1 (0.36) ADRA1AADRA1BMAPK1ALDH1A1POLB
SCHEMBL7455246 0.68 METAP2 (0.36) ADRA1AADRA1BMAPK1ALDH1A1POLB
SCHEMBL17591534 0.67 HSD17B10 (0.55) ADRA1AADRA1BALDH1A1POLBHPGD
SCHEMBL30636365 0.67 HSD17B10 (0.55) ADRA1AADRA1BALDH1A1POLBHPGD
SCHEMBL17194890 0.67 MAPK1 (0.43) ADRA1AADRA1BMAPK1ALDH1A1POLB
SCHEMBL7447364 0.67 RECQL (0.38) ADRA1AADRA1BMAPK1ALDH1A1POLB
SCHEMBL24498473 0.66 TYK2 (0.41) ADRA1AADRA1BMAPK1ALDH1A1POLB
SCHEMBL29739982 0.66 TYK2 (0.41) ADRA1AADRA1BMAPK1ALDH1A1POLB

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-1104403-A1 HYDROXY PIPECOLATE HYDROXAMIC ACID DERIVATIVES AS MMP INHIBITORS Pfizer Products Inc. (US) 2001-06-06 EP disclosed
WO-2000009485-A1 HYDROXY PIPECOLATE HYDROXAMIC ACID DERIVATIVES AS MMP INHIBITORS PFIZER PRODUCTS INC. (US) 2000-02-24 WO disclosed