SCHEMBL8362124

SCHEMBL8362124

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
PKM P14618 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
PDE4B Q07343 6/20 0.46
HPGD P15428 1/20 0.45
PDE4A P27815 5/20 0.44
PDE4C Q08493 5/20 0.44
PDE4D Q08499 5/20 0.44
MAPT P10636 3/20 0.43
ELANE P08246 1/20 0.43
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CA12 O43570 1/20 0.40

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
SCHEMBL8361911 0.87 PDE4B (0.49) ALDH1A1PKMKDM4EPDE4BPDE4A
SCHEMBL8366505 0.85 MEN1 (0.48) ALDH1A1PKMGAAKMT2APDE4B
SCHEMBL8364475 0.84 PDE4B (0.54) ALDH1A1PKMKDM4EKMT2APDE4B
SCHEMBL8366291 0.84 SMPD1 (0.48) ALDH1A1GAAKMT2APDE4BHPGD
SCHEMBL8361913 0.83 LMNA (0.48) ALDH1A1PKMKDM4EGAAKMT2A
SCHEMBL8359737 0.83 SMPD1 (0.50) ALDH1A1GAAKMT2APDE4BHPGD
SCHEMBL8359713 0.83 SMPD1 (0.50) ALDH1A1GAAKMT2APDE4BHPGD
SCHEMBL8362145 0.83 SMPD1 (0.50) ALDH1A1GAAKMT2APDE4BHPGD
SCHEMBL8365965 0.83 SMPD1 (0.50) ALDH1A1GAAKMT2APDE4BHPGD
SCHEMBL8362314 0.83 SMPD1 (0.50) ALDH1A1GAAKMT2APDE4BHPGD

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 3 patents. 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 claimed
US-5830441-A SUNSCREEN AGENTS ISP INVESTMENTS INC. (US) 1998-11-03 US claimed
WO-1999036049-A1 PHOTOSTABLE UV ABSORBENT CONTAINING α-CYANO CINNAMYL MOIETY ISP INVESTMENTS INC. (US) 1999-07-22 WO disclosed