SCHEMBL28516620

SCHEMBL28516620

CCN(CC)CCCOc1cc2c(Nc3c(/C=C/C(=O)O)ccc(OCc4ccccc4)c3OC)ncnc2cc1OC

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.51
KDR P35968 13/20 0.49
ERBB2 P04626 1/20 0.48
RET P07949 1/20 0.46
KIF5B P33176 1/20 0.46

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
SCHEMBL28522414 0.94 EGFR (0.49) EGFRKDRERBB2RETKIF5B
SCHEMBL28908558 0.94 EGFR (0.49) EGFRKDRERBB2RETKIF5B
SCHEMBL28527723 0.93 RET (0.54) EGFRKDRERBB2RETKIF5B
SCHEMBL28522006 0.93 RET (0.54) EGFRKDRERBB2RETKIF5B
SCHEMBL28518401 0.89 EGFR (0.53) EGFRKDRERBB2
SCHEMBL28522509 0.86 KDR (0.63) EGFRKDRRETKIF5B
SCHEMBL28522716 0.85 KDR (0.50) EGFRKDRERBB2
SCHEMBL28521215 0.85 EGFR (0.54) EGFRKDRERBB2RETKIF5B
SCHEMBL28529605 0.84 EGFR (0.53) EGFRKDRERBB2
SCHEMBL28518388 0.84 RET (0.55) EGFRKDRERBB2RETKIF5B

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
CN-111808031-B Ferulic acid derivative and preparation method and application thereof 湖南中医药大学 2022-01-14 CN disclosed
CN-111808031-A Ferulic acid derivative and preparation method and application thereof 湖南中医药大学 2020-10-23 CN disclosed