SCHEMBL10727460

SCHEMBL10727460

C/C=C/C(=O)OCCC(C)CCCC(C)(C)c1ccc(O)cc1O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 3/20 0.41
▸ ALOX5 P09917 1/20 0.35
▸ APP P05067 6/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ MET P08581 3/20 0.34
▸ CA12 O43570 2/20 0.34
▸ CA4 P22748 2/20 0.34
▸ CA6 P23280 2/20 0.34
▸ CA5A P35218 2/20 0.34
▸ CA7 P43166 2/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ CA14 Q9ULX7 2/20 0.34
▸ CA5B Q9Y2D0 2/20 0.34
▸ GSTP1 P09211 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ AKR1B10 O60218 3/20 0.33
▸ AKR1B1 P15121 3/20 0.33
▸ HTR7 P34969 1/20 0.33

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
SCHEMBL10726586 0.93 EGFR (0.39) EGFRALOX5APPLMNATDP1
SCHEMBL10726580 0.93 EGFR (0.39) EGFRALOX5APPLMNATDP1
SCHEMBL10575056 0.90 APP (0.36) EGFRALOX5APPLMNATDP1
SCHEMBL10732226 0.85 EGFR (0.41) EGFRCA12CA7CA9CA14
SCHEMBL10411353 0.84 MET (0.38) EGFRLMNATDP1METCA12
SCHEMBL10411355 0.84 MET (0.38) EGFRLMNATDP1METCA12
SCHEMBL10731195 0.83 EGFR (0.40) EGFRCA12CA7CA9CA14
SCHEMBL10847067 0.83 ALOX5 (0.37) ALOX5APPLMNATDP1MET
SCHEMBL10729600 0.80 EGFR (0.43) EGFRLMNATDP1
SCHEMBL10727255 0.80 CNR2 (0.44) EGFR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4661601-A PHOTOGRAPHIC BLACK COLOR COUPLER CIBA-GEIGY AG (CH) 1987-04-28 — — US disclosed
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