SCHEMBL4610652

SCHEMBL4610652

COCCOCc1ccc(C2=C(C(=O)O)CNCC23CC3)cc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.36
RARG P13631 10/20 0.33
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
NR4A2 P43354 2/20 0.32
DHODH Q02127 1/20 0.32
ALDH1A1 P00352 1/20 0.30
ICAM1 P05362 1/20 0.30
SELE P16581 1/20 0.30

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
SCHEMBL4597868 0.88 RARG (0.36) RENRARGRARARARBNR4A2
SCHEMBL4611135 0.87 REN (0.36) RENRARGRARARARBNR4A2
SCHEMBL8450331 0.76 REN (0.57) REN
SCHEMBL15578151 0.71 KMT2A (0.43) ALDH1A1
SCHEMBL6553687 0.66 ALDH1A1 (0.54) RARBNR4A2ALDH1A1
SCHEMBL15579121 0.66 HRH3 (0.37) RARGRARARARBNR4A2ICAM1
SCHEMBL4598109 0.66 TACR1 (0.35)
SCHEMBL4598072 0.64 SLC6A2 (0.38) REN
SCHEMBL4598067 0.64 SLC6A2 (0.38) REN
SCHEMBL7317105 0.63 MAPT (0.53) ALDH1A1

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-1908471-A1 Tetrahydropyridines as renin inhibitors Speedel Experimenta AG (CH) 2008-04-09 EP disclosed