SCHEMBL11802937

SCHEMBL11802937

C=C(C)C(=O)Oc1cc(C(C)(C)C)c(O)c(C(C)(C)CC(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ VCAM1 P19320 11/20 0.39
▸ GAA P10253 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ LMNA P02545 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ HPN P05981 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ SIRT5 Q9NXA8 1/20 0.35
▸ ELANE P08246 1/20 0.35

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
SCHEMBL11800906 0.96 ELANE (0.37) CA1CA2VCAM1GAAALDH1A1
SCHEMBL3193007 0.89 CA2 (0.52) CA1CA2VCAM1GAAALDH1A1
SCHEMBL11807462 0.88 ELANE (0.33) GAAELANE
SCHEMBL11795086 0.88 CA2 (0.42) CA1CA2VCAM1GAAALDH1A1
SCHEMBL11797369 0.86 GAA (0.39) CA1CA2VCAM1GAAALDH1A1
SCHEMBL11800496 0.85 CA1 (0.41) CA1CA2VCAM1GAAALDH1A1
SCHEMBL10840558 0.82 CA2 (0.42) CA1CA2VCAM1GAAALDH1A1
SCHEMBL11800633 0.81 CNR1 (0.37) CA1CA2VCAM1GAAELANE
SCHEMBL11807419 0.81 ELANE (0.36) CA1CA2VCAM1GAAALDH1A1
SCHEMBL11655278 0.79 HTT (0.43) CA1CA2ALDH1A1TDP1LMNA

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-3953402-A COPOLYMER OF A P-HYDROXYPHENYL ACRYLATE THE GOODYEAR TIRE & RUBBER COMPANY (US) 1976-04-27 — — US disclosed
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