SCHEMBL8359659

SCHEMBL8359659

COc1ccc(C(C#N)=CC(=O)OC(C)C)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.58
PDE4B Q07343 10/20 0.51
PDE4A P27815 9/20 0.49
PDE4C Q08493 9/20 0.49
PDE4D Q08499 9/20 0.49
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA7 P43166 1/20 0.45
TPMT P51580 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL8359619 0.86 PDE4B (0.60) HPGDPDE4BPDE4APDE4CPDE4D
SCHEMBL21457601 0.82 NQO2 (0.50) HPGDCYP1A2CYP2C9CYP2C19CA1
SCHEMBL8638085 0.82 PDE4B (0.56) HPGDPDE4BPDE4APDE4CPDE4D
SCHEMBL11758912 0.82 PDE4B (0.59) HPGDPDE4BPDE4APDE4CPDE4D
SCHEMBL8638441 0.82 PDE4B (0.56) HPGDPDE4BPDE4APDE4CPDE4D
SCHEMBL8362124 0.82 ALDH1A1 (0.47) HPGDPDE4BPDE4APDE4CPDE4D
SCHEMBL8364475 0.82 PDE4B (0.54) PDE4BPDE4APDE4CPDE4DCYP1A2
SCHEMBL21457295 0.82 CES2 (0.49) PDE4BPDE4APDE4CPDE4DTSHR
SCHEMBL8638681 0.82 PDE4B (0.51) HPGDPDE4BPDE4APDE4CPDE4D
SCHEMBL21457402 0.81 CA12 (0.55) HPGDPDE4BPDE4APDE4CPDE4D

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
WO-1999036049-A1 PHOTOSTABLE UV ABSORBENT CONTAINING α-CYANO CINNAMYL MOIETY ISP INVESTMENTS INC. (US) 1999-07-22 WO disclosed