SCHEMBL10614514

SCHEMBL10614514

CC(C)C(C(=O)OC(=O)C(c1ccc(Cl)cc1)C(C)C)c1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 17/20 0.61
ADRB2 P07550 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL10614521 1.00 FFAR2 (0.61) FFAR2ADRB2MEN1KMT2ALMNA
SCHEMBL10867395 0.91 FFAR2 (0.56) FFAR2MEN1KMT2ALMNA
SCHEMBL11400312 0.87 FFAR2 (0.59) FFAR2ADRB2MEN1KMT2ALMNA
SCHEMBL2423106 0.87 FFAR2 (0.64) FFAR2MEN1KMT2ALMNA
SCHEMBL9862938 0.87 FFAR2 (0.59) FFAR2ADRB2MEN1KMT2ALMNA
SCHEMBL10607697 0.87 FFAR2 (0.59) FFAR2ADRB2MEN1KMT2ALMNA
SCHEMBL11507187 0.85 FFAR2 (0.50) FFAR2MEN1KMT2ALMNA
SCHEMBL11505145 0.84 FFAR2 (0.49) FFAR2MEN1KMT2ALMNA
SCHEMBL23027132 0.84 FFAR2 (0.56) FFAR2MEN1KMT2ALMNA
SCHEMBL11062117 0.84 FFAR2 (0.56) FFAR2MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4175094-A REACTING AN AROMATIC ALDEHYDE AND AN ACID ANHYDRIDE SHELL OIL COMPANY (US) 1979-11-20 US claimed
US-4761494-A Preparation of cyanomethyl esters E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-08-02 US disclosed
EP-0172380-A2 Preparation of cyanomethyl esters E.I. DU PONT DE NEMOURS AND COMPANY (US) 1986-02-26 EP disclosed
US-4176189-A Insecticidal and acaricidal hydantoin N-methylol esters SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1979-11-27 US disclosed
US-4175094-A REACTING AN AROMATIC ALDEHYDE AND AN ACID ANHYDRIDE SHELL OIL COMPANY (US) 1979-11-20 US disclosed
EP-0002288-A1 Process for the preparation of alpha-cyanobenzyl esters SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1979-06-13 EP disclosed