SCHEMBL14020431

SCHEMBL14020431

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 1/20 0.65
▸ GAA P10253 1/20 0.57
▸ MAPT P10636 6/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ RECQL P46063 1/20 0.49
▸ PKM P14618 1/20 0.46
▸ NR1I2 O75469 1/20 0.45
▸ LMNA P02545 5/20 0.44
▸ POLB P06746 3/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ PARP10 Q53GL7 1/20 0.44
▸ CYP19A1 P11511 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ PPARA Q07869 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ CYP3A4 P08684 1/20 0.42

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
SCHEMBL6463051 0.93 CES1 (0.53) CES1GAAMAPTRAB9AALDH1A1
SCHEMBL3910484 0.93 CES1 (0.59) CES1GAAMAPTRAB9AALDH1A1
SCHEMBL10299609 0.92 CES1 (0.58) CES1GAAMAPTRAB9AALDH1A1
SCHEMBL278824 0.92 CES1 (0.69) CES1GAAMAPTRAB9AALDH1A1
SCHEMBL10299683 0.88 CES1 (0.63) CES1GAAMAPTRAB9AALDH1A1
SCHEMBL12114023 0.88 CES1 (0.63) CES1GAAMAPTRAB9AALDH1A1
SCHEMBL16561594 0.87 CES1 (0.56) CES1GAAMAPTRAB9AALDH1A1
SCHEMBL14045260 0.86 CES1 (0.61) CES1GAAMAPTRAB9AALDH1A1
SCHEMBL12116835 0.86 CES1 (0.61) CES1GAAMAPTRAB9AALDH1A1
SCHEMBL10299602 0.86 CES1 (0.61) CES1MAPTRAB9APKMPPARA

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-20080241424-A1 Ink-jet ink and ink-jet recording method KONICA MINOLTA HOLDINGS, INC. (JP) 2008-10-02 — — US disclosed
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