SCHEMBL19970163

SCHEMBL19970163

C=C/C=C/c1ccccc1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.63
CCND1 P24385 1/20 0.63
TRPA1 O75762 1/20 0.54
NFKB1 P19838 2/20 0.52
JUN P05412 1/20 0.52
NFE2L2 Q16236 1/20 0.52
CA2 P00918 3/20 0.50
CA1 P00915 1/20 0.50
CA4 P22748 1/20 0.50
MAPT P10636 3/20 0.48
LMNA P02545 1/20 0.48
TRIM24 O15164 1/20 0.48
TRIM33 Q9UPN9 1/20 0.48
BCHE P06276 1/20 0.46
GUSB P08236 1/20 0.46
KDM4E B2RXH2 2/20 0.43
MAPK1 P28482 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL27558135 1.00 CDK4 (0.63) CDK4CCND1TRPA1NFKB1JUN
SCHEMBL1277034 0.91 CDK4 (0.59) CDK4CCND1TRPA1NFKB1JUN
SCHEMBL1277035 0.91 CDK4 (0.59) CDK4CCND1TRPA1NFKB1JUN
SCHEMBL28268121 0.85 CDK4 (0.74) CDK4CCND1TRPA1NFKB1JUN
SCHEMBL23838467 0.80 ALDH1A1 (0.39) CDK4CCND1TRPA1NFKB1NFE2L2
SCHEMBL108389 0.80 TRPA1 (0.76) CDK4CCND1TRPA1NFKB1JUN
SCHEMBL717976 0.80 TRPA1 (0.76) CDK4CCND1TRPA1NFKB1JUN
SCHEMBL14049586 0.79 TRPA1 (0.43) CDK4CCND1TRPA1NFKB1JUN
2-Hydroxycinnamaldehyde SCHEMBL691039 0.77 CDK4 (1.00) CDK4CCND1TRPA1NFKB1JUN
2-Hydroxycinnamaldehyde SCHEMBL31388535 0.77 CDK4 (1.00) CDK4CCND1TRPA1NFKB1JUN

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
US-10608186-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2020-03-31 US disclosed
US-20180076393-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2018-03-15 US disclosed