SCHEMBL10411353

SCHEMBL10411353

C/C=C/C(=O)OCCC(C)CCCC(C)(C)c1ccc(O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 5/20 0.38
▸ CA12 O43570 4/20 0.38
▸ CA1 P00915 4/20 0.38
▸ CA7 P43166 4/20 0.38
▸ CA9 Q16790 4/20 0.38
▸ CA14 Q9ULX7 4/20 0.38
▸ CA4 P22748 2/20 0.38
▸ CA6 P23280 2/20 0.38
▸ CA5A P35218 2/20 0.38
▸ CA5B Q9Y2D0 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CA2 P00918 2/20 0.37
▸ AKR1B10 O60218 3/20 0.37
▸ AKR1B1 P15121 3/20 0.37
▸ GSTP1 P09211 1/20 0.36
▸ ESR1 P03372 3/20 0.36
▸ MAOB P27338 1/20 0.36
▸ EGFR P00533 2/20 0.35
▸ SHBG P04278 1/20 0.34

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
SCHEMBL10411355 1.00 MET (0.38) METCA12CA1CA7CA9
SCHEMBL10727460 0.84 EGFR (0.41) METCA12CA1CA7CA9
SCHEMBL10411816 0.84 ALOX15 (0.42) LMNAESR1EGFRSHBGESR2
SCHEMBL10575056 0.82 APP (0.36) METLMNATDP1GSTP1EGFR
SCHEMBL10825767 0.80 LMNA (0.36) LMNATDP1GSTP1ALDH1A1
SCHEMBL10410316 0.79 TDP1 (0.46) CA12CA1CA7CA9CA14
SCHEMBL10411352 0.78 SHBG (0.36) LMNAESR1SHBGESR2ALDH1A1
SCHEMBL10410261 0.78 ALDH1A1 (0.47) CA12CA1CA7CA9CA14
SCHEMBL10726580 0.77 EGFR (0.39) METCA12CA1CA7CA9
SCHEMBL10726586 0.77 EGFR (0.39) METCA12CA1CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4904815-A PHENOLS WITH ESTER, ACID OR AMIDE FUNCTIONAL GROUPS, STABILIZERS FOR AQUEOUS OR ORGANIC SYSTEMS CIBA-GEIGY AG (CH) 1990-02-27 — — US disclosed
EP-0106799-B1 PHENOLS AND THEIR PREPARATION CIBA-GEIGY AG (CH) 1986-03-19 — — EP disclosed
EP-0106799-A1 Phenols and their preparation CIBA-GEIGY AG (CH) 1984-04-25 — — EP disclosed
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