SCHEMBL11795166

SCHEMBL11795166

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

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.38
▸ KMT2A Q03164 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ VCAM1 P19320 2/20 0.31
▸ ESRRA P11474 1/20 0.30

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
SCHEMBL3193007 0.84 CA2 (0.52) ELANEKMT2AATMCA1CA2
SCHEMBL11652388 0.81 POLB (0.40) CA1CA2TDP1TSHR
SCHEMBL11797518 0.80 THRB (0.36) KMT2ACA1CA2GAATSHR
SCHEMBL22882568 0.80 ELANE (0.41) ELANEKMT2AATMCA1CA2
SCHEMBL11800906 0.78 ELANE (0.37) ELANEKMT2AATMCA1CA2
SCHEMBL11807419 0.77 ELANE (0.36) ELANEKMT2AATMCA1CA2
SCHEMBL11795086 0.75 CA2 (0.42) ELANECA1CA2ALDH1A1GAA
SCHEMBL10840558 0.75 CA2 (0.42) ELANECA1CA2ALDH1A1GAA
SCHEMBL8151618 0.75 ELANE (0.47) ELANEKMT2AATMCA1CA2
SCHEMBL11802937 0.74 CA1 (0.41) ELANECA1CA2ALDH1A1GAA

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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