SCHEMBL10414510

SCHEMBL10414510

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.68
▸ SMN1; SMN2 Q16637 4/20 0.68
▸ ESR1 P03372 2/20 0.68
▸ HIF1A Q16665 2/20 0.68
▸ RECQL P46063 1/20 0.68
▸ ELANE P08246 2/20 0.62
▸ MAPT P10636 5/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ ACHE P22303 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ NFKB1 P19838 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42

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
SCHEMBL11374349 0.85 KMT2A (0.72) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL312147 0.84 KMT2A (0.76) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL11445596 0.82 KMT2A (0.73) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL5690655 0.81 KMT2A (0.72) KMT2ASMN1; SMN2ESR1HIF1ARECQL
Diethylstilbestrol Dipropionate SCHEMBL2440005 0.81 KMT2A (1.00) KMT2ASMN1; SMN2ESR1HIF1ARECQL
Diethylstilbestrol Dipropionate SCHEMBL151730 0.81 KMT2A (1.00) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL10486989 0.81 ELANE (0.76) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL3000670 0.80 KMT2A (0.56) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL2990674 0.80 KMT2A (0.56) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL9740987 0.80 KMT2A (0.53) KMT2ASMN1; SMN2ESR1HIF1ARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011116050-A2 CURING AGENTS FOR EPOXY RESINS DESIGNER MOLECULES, INC. (US) 2011-09-22 — — WO disclosed
US-4956123-A REACTING A STYRENE TYPE COMPOUND WITH A DIHALOACYL PEROXIDE TO MAKE A FLUOROALKYLAROMATIC ESTER NIPPON OILS & FATS COMPANY, LTD. (JP) 1990-09-11 — — US disclosed
EP-0189275-B1 METHOD FOR MANUFACTURE OF FLUORINE-CONTAINING AROMATIC DERIVATIVES NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-10-18 — — EP disclosed
EP-0189275-A2 Method for manufacture of fluorine-containing aromatic derivatives NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1986-07-30 — — EP disclosed
US-4544704-A CONTAINING ETHYLENICALLY UNSATURATED AROMATIC CYANATE WITH OTHER UNSATURATED COMPOUNDS, POLYCYANATE AND/OR EPOXY RESIN THE DOW CHEMICAL COMPANY (US) 1985-10-01 — — US disclosed
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