SCHEMBL8364474

SCHEMBL8364474

CCOC(=O)C(C#N)=Cc1ccc(OC)c(OC)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 1.00
HTT P42858 2/20 1.00
PKM P14618 1/20 1.00
MAPT P10636 8/20 0.81
KMT2A Q03164 5/20 0.81
MEN1 O00255 3/20 0.81
CYP1A2 P05177 1/20 0.69
HPGD P15428 5/20 0.69
KDM4E B2RXH2 5/20 0.69
NPSR1 Q6W5P4 2/20 0.69
RXFP1 Q9HBX9 2/20 0.69
SMN1; SMN2 Q16637 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65
TDP1 Q9NUW8 2/20 0.62
PDCD1 Q15116 1/20 0.62
CD274 Q9NZQ7 1/20 0.62
CRHBP P24387 1/20 0.61
CRHR2 Q13324 1/20 0.61

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
SCHEMBL22259791 1.00 ALDH1A1 (1.00) ALDH1A1HTTPKMMAPTKMT2A
SCHEMBL8606854 0.91 ALDH1A1 (0.82) ALDH1A1HTTPKMMAPTKMT2A
SCHEMBL8606852 0.91 ALDH1A1 (0.82) ALDH1A1HTTPKMMAPTKMT2A
SCHEMBL2270723 0.90 ALDH1A1 (1.00) ALDH1A1HTTPKMMAPTKMT2A
SCHEMBL22897308 0.90 ALDH1A1 (1.00) ALDH1A1HTTPKMMAPTKMT2A
SCHEMBL30883296 0.90 ALDH1A1 (1.00) ALDH1A1HTTPKMMAPTKMT2A
SCHEMBL8361909 0.90 ALDH1A1 (0.81) ALDH1A1HTTPKMMAPTKMT2A
SCHEMBL31648510 0.90 MAPT (0.82) ALDH1A1HTTPKMMAPTKMT2A
SCHEMBL22259726 0.90 ALDH1A1 (0.80) ALDH1A1HTTPKMMAPTKMT2A
SCHEMBL2138516 0.89 ALDH1A1 (0.80) ALDH1A1HTTPKMMAPTKMT2A

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 2 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 disclosed
US-5830441-A SUNSCREEN AGENTS ISP INVESTMENTS INC. (US) 1998-11-03 US disclosed