SCHEMBL19358993

SCHEMBL19358993

CCCCCCCCCCNC(=O)C=Cc1cc(O)ccc1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 3/20 0.64
▸ PELI1 Q96FA3 2/20 0.59
▸ NAAA Q02083 1/20 0.58
▸ EGFR P00533 1/20 0.58
▸ SNCA P37840 1/20 0.55
▸ ALDH1A1 P00352 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ HTR1A P08908 2/20 0.51
▸ HTR2C P28335 2/20 0.51
▸ HTR2A P28223 1/20 0.51

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
SCHEMBL19369311 1.00 APP (0.64) APPPELI1NAAAEGFRSNCA
SCHEMBL8756992 0.91 APP (0.62) APPPELI1NAAAEGFRHTR1A
SCHEMBL8756987 0.91 APP (0.62) APPPELI1NAAAEGFRHTR1A
SCHEMBL8756981 0.91 APP (0.62) APPPELI1NAAAEGFRHTR1A
SCHEMBL6659147 0.86 EGFR (0.56) APPPELI1NAAAEGFRMAPT
SCHEMBL6659156 0.86 EGFR (0.56) APPPELI1NAAAEGFRMAPT
SCHEMBL19369308 0.85 APP (0.65) APPPELI1EGFRMAPTHTR1A
SCHEMBL19358956 0.85 APP (0.65) APPPELI1EGFRMAPTHTR1A
SCHEMBL8756763 0.84 EGFR (0.68) APPPELI1NAAAEGFRMAPT
SCHEMBL8756769 0.84 EGFR (0.68) APPPELI1NAAAEGFRMAPT

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-2017161093-A1 CAFFEIC ACID DERIVATIVES AND USES THEREOF MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2017-09-21 — — WO claimed
WO-2017161093-A1 CAFFEIC ACID DERIVATIVES AND USES THEREOF MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2017-09-21 — — WO disclosed
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