SCHEMBL7451102

SCHEMBL7451102

COc1[c]sc2cccc(-c3cnccn3)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
NR4A1 P22736 1/20 0.36
ESR2 Q92731 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
MAPK1 P28482 1/20 0.36
RECQL P46063 2/20 0.35
HTT P42858 1/20 0.35
ADRA1A P35348 2/20 0.33
ADRA1B P35368 2/20 0.33
GRM5 P41594 1/20 0.33
ALOX5AP P20292 2/20 0.33
FEN1 P39748 2/20 0.33
DCTPP1 Q9H773 1/20 0.32
TYK2 P29597 2/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
ALOX5 P09917 1/20 0.31
CYP2D6 P10635 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
SCHEMBL7107797 0.84 SMN1; SMN2 (0.36) ALDH1A1POLBHPGDHSD17B10MAPK1
SCHEMBL7105859 0.79 CLK4 (0.35) ALDH1A1CYP2D6CYP19A1CYP3A4
SCHEMBL7455246 0.74 METAP2 (0.36) ALDH1A1POLBHPGDNR4A1ESR2
SCHEMBL7447660 0.74 ADRA1A (0.36) ALDH1A1POLBHPGDNR4A1ESR2
SCHEMBL7447711 0.72 ALDH1A1 (0.38) ALDH1A1POLBHPGDNR4A1ESR2
SCHEMBL3525749 0.69 MEN1 (0.39) ALDH1A1POLBHPGDHSD17B10MAPK1
SCHEMBL7454492 0.68 ADRA1A (0.36) ALDH1A1POLBHPGDNR4A1ESR2
SCHEMBL8101802 0.68 ADRA1A (0.34) ALDH1A1POLBHPGDNR4A1ESR2
SCHEMBL17591534 0.67 HSD17B10 (0.55) ALDH1A1POLBHPGDNR4A1ESR2
SCHEMBL30636365 0.67 HSD17B10 (0.55) ALDH1A1POLBHPGDNR4A1ESR2

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