SCHEMBL9291320

SCHEMBL9291320

COc1ccc(Cc2ccc(N)cc2)c(OC)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.61
GAA P10253 1/20 0.61
MAPT P10636 1/20 0.61
TSHR P16473 1/20 0.61
HTT P42858 1/20 0.61
APLNR P35414 1/20 0.53
CYP19A1 P11511 6/20 0.53
ALDH1A1 P00352 2/20 0.49
CYP3A4 P08684 2/20 0.49
TDP1 Q9NUW8 2/20 0.48
ADRA1A P35348 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
CSF1R P07333 1/20 0.46
NTRK2 Q16620 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46

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
SCHEMBL3048494 0.90 MAPK1 (0.71) MAPK1GAAMAPTTSHRHTT
SCHEMBL5612174 0.90 APLNR (0.59) MAPK1GAAMAPTTSHRHTT
SCHEMBL16372548 0.88 GAA (0.79) MAPK1GAAMAPTTSHRHTT
SCHEMBL31457262 0.88 GAA (0.79) MAPK1GAAMAPTTSHRHTT
SCHEMBL19039711 0.86 GAA (0.65) MAPK1GAAMAPTTSHRHTT
SCHEMBL9827146 0.85 CYP19A1 (0.69) MAPK1GAAMAPTTSHRHTT
SCHEMBL15719428 0.83 CYP19A1 (0.49) MAPK1GAAMAPTTSHRHTT
SCHEMBL5612171 0.83 APLNR (0.53) MAPK1GAAMAPTTSHRHTT
SCHEMBL3300286 0.83 LTA4H (0.58) MAPTTSHRAPLNRALDH1A1
SCHEMBL15759453 0.82 APLNR (0.51) MAPK1GAAMAPTTSHRHTT

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
US-5364851-A Internal coupling/cyclization to form helical structures INTERNATIONAL SYNTHECON, LLC (US) 1994-11-15 US disclosed