SCHEMBL10299602

SCHEMBL10299602

COC(OC)(C(=O)c1ccc(OCCCC(=O)O)cc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 1/20 0.61
▸ PPARA Q07869 4/20 0.55
▸ ESR1 P03372 2/20 0.49
▸ FFAR4 Q5NUL3 5/20 0.47
▸ MAPT P10636 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SERPINE1 P05121 1/20 0.46
▸ FFAR1 O14842 4/20 0.45
▸ PKM P14618 1/20 0.44

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
SCHEMBL12114023 0.93 CES1 (0.63) CES1PPARAESR1MAPTRAB9A
SCHEMBL278824 0.92 CES1 (0.69) CES1PPARAMAPTRAB9APKM
SCHEMBL10299597 0.91 PPARA (0.56) CES1PPARASERPINE1FFAR1
SCHEMBL10299610 0.88 CES1 (0.63) CES1PPARAMAPTRAB9AFFAR1
SCHEMBL14045260 0.87 CES1 (0.61) CES1PPARAMAPTRAB9APKM
SCHEMBL12116835 0.87 CES1 (0.61) CES1PPARAMAPTRAB9APKM
SCHEMBL14020431 0.86 CES1 (0.65) CES1PPARAMAPTRAB9APKM
SCHEMBL10299683 0.85 CES1 (0.63) CES1PPARAMAPTRAB9APKM
SCHEMBL10299601 0.85 CES1 (0.67) CES1ESR1MAPTRAB9AFFAR1
SCHEMBL10299609 0.82 CES1 (0.58) CES1MAPTRAB9APKM

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-8216353-B2 Photoinitiator is a benzyl ketal compound incorporating a pendent water-soluble group via an oxygen atom or a sulfur atom; exhibits a high photocuring sensitivity, specifically even to black ink, and is easily handled KONICA MINOLTA HOLDINGS, INC. (JP) 2012-07-10 — — US disclosed
US-20080241424-A1 Ink-jet ink and ink-jet recording method KONICA MINOLTA HOLDINGS, INC. (JP) 2008-10-02 — — US disclosed
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