SCHEMBL10366232

SCHEMBL10366232

CC(=O)Oc1cc2c(cc1C=O)OCC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.48
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PGR P06401 2/20 0.38
KDM4E B2RXH2 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
MTNR1A P48039 1/20 0.36

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
SCHEMBL10958722 0.92 PGR (0.44) ERN1LMNAHPGDALDH1A1GAA
SCHEMBL5722689 0.82 LMNA (0.61) ERN1LMNAHPGDALDH1A1GAA
SCHEMBL10366281 0.77 MAPT (0.41) ERN1LMNAHPGDALDH1A1GAA
SCHEMBL8323266 0.76 ERN1 (0.44) ERN1LMNAHPGDALDH1A1GAA
SCHEMBL29190757 0.76 KDM4E (0.50) ERN1HPGDALDH1A1GAASMN1; SMN2
SCHEMBL10600748 0.74 LMNA (0.58) ERN1LMNAHPGDALDH1A1GAA
SCHEMBL16649377 0.73 ERN1 (0.48) ERN1LMNAHPGDALDH1A1GAA
SCHEMBL9376591 0.73 ERN1 (0.63) ERN1LMNAHPGDHDAC3HDAC4
SCHEMBL30310943 0.73 ERN1 (0.48) ERN1LMNAHPGDALDH1A1GAA
SCHEMBL6702507 0.72 KDM4E (0.52) ERN1HPGDALDH1A1GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0199235-B1 PHENYLALKYL-2,3-DIHYDROBENZOFURANS AND ANALOGS USEFUL AS ANTI-INFLAMMATORY AGENTS MERCK & CO. INC. (US) 1990-08-08 EP disclosed
US-4775679-A Certain heterocyclic-ethyl-2,3-dihydrobenzofurans useful as anti-inflammatory agents MERCK & CO., INC. (US) 1988-10-04 US disclosed
US-4713393-A TOPICAL TREATMENT OF SKIN DISORDERS MERCK & CO., INC. (US) 1987-12-15 US disclosed
EP-0199235-A2 Phenylalkyl-2,3-dihydrobenzofurans and analogs useful as anti-inflammatory agents MERCK & CO. INC. (US) 1986-10-29 EP disclosed