SCHEMBL5656926

SCHEMBL5656926

NC=CCc1ccccc1-c1ccccc1CC=CN

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.43
TAAR1 Q96RJ0 6/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
MAOB P27338 1/20 0.33
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PNMT P11086 2/20 0.31
HTR2A P28223 1/20 0.30
PTGER4 P35408 1/20 0.30
PTGER3 P43115 1/20 0.30
PTGER2 P43116 1/20 0.30
CSNK2A2 P19784 1/20 0.30
CSNK2B P67870 1/20 0.30
CSNK2A1 P68400 1/20 0.30
CSNK2A3 Q8NEV1 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
SCHEMBL666674 0.87 MAOB (0.38) DPP4TAAR1MAOBPNMTHTR2A
SCHEMBL170431 0.87 DPP4 (0.55) DPP4ALDH1A1PTGER4PTGER3PTGER2
SCHEMBL5762728 0.79 ALOX15 (0.39) TAAR1MAOBALDH1A1L3MBTL1
SCHEMBL10371624 0.79 ALOX15 (0.39) TAAR1MAOBALDH1A1L3MBTL1
SCHEMBL7237385 0.78 KDM4E (0.39) DPP4
SCHEMBL89100 0.77 TAAR1 (0.54) TAAR1ALDH1A1L3MBTL1
SCHEMBL11388672 0.77 TAAR1 (0.31) TAAR1MAOB
SCHEMBL8035655 0.77 TAAR1 (0.31) TAAR1MAOB
SCHEMBL28813023 0.77 TAAR1 (0.54) TAAR1ALDH1A1PTGER4PTGER3PTGER2
SCHEMBL725695 0.76 HRH1 (0.44) TAAR1

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
JP-2007210952-A METHOD FOR PRODUCING 3-ALKYL-4,4'-BIPHENOL AND METHOD FOR PRODUCING MIXTURE OF 3-ALKYL-4,4'-BIPHENOL AND 3,3'-DIALKYL-4,4'-BIPHENOL HONSHU CHEM IND CO LTD 2007-08-23 JP disclosed