SCHEMBL9561364

SCHEMBL9561364

CCC(C)(C)OC(=O)/C=C\C(=O)OC(C)(C)CC

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 7/20 0.38
ATM Q13315 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
GAA P10253 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
SCHEMBL4584052 1.00 HCAR2 (0.38) HCAR2ATMALDH1A1TSHRTDP1
SCHEMBL4584048 1.00 HCAR2 (0.38) HCAR2ATMALDH1A1TSHRTDP1
SCHEMBL9561368 0.91 HCAR2 (0.52) HCAR2ATMALDH1A1TSHRTDP1
SCHEMBL9860820 0.91 HCAR2 (0.52) HCAR2ATMALDH1A1TSHRTDP1
SCHEMBL9561373 0.91 HCAR2 (0.52) HCAR2ATMALDH1A1TSHRTDP1
SCHEMBL15243104 0.89 ALDH1A1 (0.33) HCAR2ATMALDH1A1TSHRTDP1
SCHEMBL9070548 0.89 ALDH1A1 (0.33) HCAR2ATMALDH1A1TSHRTDP1
Potassium Ion SCHEMBL4924857 0.88 CA1 (0.32) HCAR2ATMALDH1A1TSHRTDP1
Potassium Ion SCHEMBL4924874 0.88 CA1 (0.32) HCAR2ATMALDH1A1TSHRTDP1
SCHEMBL14866686 0.88 HCAR2 (0.31) HCAR2ATMALDH1A1TSHRTDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5256752-A Nitrogen-free ester of carboxy containing interpolymers THE LUBRIZOL CORPORATION (US) 1993-10-26 US disclosed
EP-0309573-B1 NITROGEN-FREE ESTERS OF CARBOXY CONTAINING INTERPOLYMERS The Lubrizol Corporation (US) 1992-01-02 EP disclosed
US-4048130-A COPOLYMERIZATION, UNSATURATED ACIDS LONZA LTD. (CH) 1977-09-13 US disclosed