SCHEMBL4597868

SCHEMBL4597868

COCCOCc1ccc(C2=C(C(=O)O)CNCC2(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARG P13631 10/20 0.36
RARA P10276 1/20 0.36
RARB P10826 1/20 0.36
REN P00797 2/20 0.35
ICAM1 P05362 4/20 0.32
SELE P16581 4/20 0.32
NR4A2 P43354 2/20 0.32
DHODH Q02127 1/20 0.32
VCAM1 P19320 1/20 0.32
KRAS P01116 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL4610652 0.88 REN (0.36) RARGRARARARBRENICAM1
SCHEMBL4611135 0.88 REN (0.36) RARGRARARARBRENICAM1
SCHEMBL8450946 0.75 REN (0.58) REN
SCHEMBL15578151 0.69 KMT2A (0.43) ALDH1A1
SCHEMBL6553687 0.67 ALDH1A1 (0.54) RARBNR4A2ALDH1A1
SCHEMBL4598109 0.66 TACR1 (0.35)
SCHEMBL4598072 0.65 SLC6A2 (0.38) REN
SCHEMBL4598067 0.65 SLC6A2 (0.38) REN
SCHEMBL15579121 0.64 HRH3 (0.37) RARGRARARARBICAM1SELE
SCHEMBL7317105 0.64 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