SCHEMBL7309997

SCHEMBL7309997

COc1ccc2c(c1)CC(OC(=O)O)N2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HSPA1A P0DMV8 1/20 0.41
PTPN7 P35236 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EGFR P00533 1/20 0.39
PDGFRA P16234 1/20 0.39
KDR P35968 1/20 0.39
MTNR1A P48039 2/20 0.39
MTNR1B P49286 1/20 0.39
KDM4E B2RXH2 3/20 0.39
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
MEN1 O00255 1/20 0.39
ALPL P05186 1/20 0.39

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
Hydrochloric Acid SCHEMBL7313862 0.99 PDE3B (0.40) PDE3BPDE3AHSD17B10ALDH1A1HSPA1A
SCHEMBL8258749 0.82 PDE3B (0.44) PDE3BPDE3AALDH1A1EGFRPDGFRA
Hydrochloric Acid SCHEMBL7307891 0.81 MAPT (0.36) PDE3BPDE3AHSD17B10ALDH1A1HSPA1A
SCHEMBL7318714 0.79 AHR (0.38) GAA
SCHEMBL7044783 0.79 GAA (0.55) PDE3BPDE3AHSD17B10ALDH1A1HSPA1A
SCHEMBL7037302 0.79 GAA (0.55) PDE3BPDE3AHSD17B10ALDH1A1HSPA1A
SCHEMBL4365304 0.79 GAA (0.55) PDE3BPDE3AHSD17B10ALDH1A1HSPA1A
Hydrochloric Acid SCHEMBL10910510 0.78 GAA (0.54) PDE3BPDE3AHSD17B10ALDH1A1HSPA1A
Hydrochloric Acid SCHEMBL7323833 0.78 AHR (0.37) GAA
SCHEMBL7286562 0.75 ALDH1A1 (0.44) PDE3BPDE3AHSD17B10ALDH1A1HSPA1A

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
EP-0050850-A1 1-Carboxyalkanoylindolin-2-carboxylic acids and derivatives thereof, processes for their preparation, and pharmaceutical compositions containing these compounds CIBA-GEIGY AG (CH) 1982-05-05 EP disclosed