SCHEMBL7447660

SCHEMBL7447660

COc1[c]oc2cccc(-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
GRM5 P41594 1/20 0.35
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
TYK2 P29597 2/20 0.33
RECQL P46063 2/20 0.33
P2RX7 Q99572 2/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
ADRA1D P25100 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
SCHEMBL7454492 0.76 ADRA1A (0.36) ADRA1AADRA1BMAPK1GRM5ALDH1A1
SCHEMBL7114096 0.75 ADRA1A (0.36) ADRA1AADRA1BGRM5P2RX7ADRA1D
SCHEMBL7455246 0.74 METAP2 (0.36) ADRA1AADRA1BMAPK1GRM5ALDH1A1
SCHEMBL7451102 0.74 ALDH1A1 (0.36) ADRA1AADRA1BMAPK1GRM5ALDH1A1
SCHEMBL7447364 0.73 RECQL (0.38) ADRA1AADRA1BMAPK1ALDH1A1POLB
SCHEMBL7447711 0.72 ALDH1A1 (0.38) ADRA1AADRA1BMAPK1GRM5ALDH1A1
SCHEMBL5829689 0.68 ADRA1A (0.34) ADRA1AADRA1BP2RX7ALOX5APFEN1
SCHEMBL10513692 0.67
SCHEMBL17591534 0.67 HSD17B10 (0.55) ADRA1AADRA1BALDH1A1POLBHPGD
SCHEMBL30636365 0.67 HSD17B10 (0.55) ADRA1AADRA1BALDH1A1POLBHPGD

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