SCHEMBL29245017

SCHEMBL29245017

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 2/20 0.48
▸ CES1 P23141 2/20 0.48
▸ MAPT P10636 4/20 0.42
▸ CA1 P00915 4/20 0.41
▸ CA2 P00918 4/20 0.41
▸ ACACB O00763 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ APEX1 P27695 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ ELANE P08246 2/20 0.40
▸ FABP2 P12104 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ SLC22A12 Q96S37 1/20 0.39
▸ PLK1 P53350 1/20 0.39

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
SCHEMBL2733809 0.81 CA1 (0.64) MAPTCA1CA2ALDH1A1TDP1
SCHEMBL2122107 0.80 CES2 (0.75) CES2CES1MAPTCA1CA2
SCHEMBL1943728 0.80 HPGD (0.56) CES2CES1MAPTCA1CA2
SCHEMBL25241364 0.79 CES2 (0.63) CES2CES1MAPTALDH1A1HSD17B10
SCHEMBL20076975 0.78 ELANE (0.60) MAPTALDH1A1LMNAMAPK1TDP1
SCHEMBL4524699 0.78 CA1 (0.49) CES2CES1MAPTCA1CA2
SCHEMBL11974555 0.77 ALOX15 (0.59) CES1MAPTACACBALDH1A1LMNA
SCHEMBL7619837 0.77 HDAC1 (0.57) MAPTCA1CA2ALDH1A1LMNA
SCHEMBL30503033 0.77 ALOX15 (0.59) CES1MAPTACACBALDH1A1LMNA
SCHEMBL13266961 0.76 CA1 (0.58) MAPTCA1CA2ALDH1A1TDP1

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
CN-118302470-A Epoxy resin composition, cured product, sealing material, and adhesive 旭化成株式会社 2024-07-05 — — CN disclosed
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