SCHEMBL8537258

SCHEMBL8537258

CC(=O)Oc1c(C)c(C)c2c(c1C)C(CN1C(=O)c3ccccc3C1=O)C(C)(C)O2

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PLIN1 O60240 1/20 0.34
ALOX15 P16050 1/20 0.34
PLIN5 Q00G26 1/20 0.34
ABHD5 Q8WTS1 1/20 0.34
GAA P10253 2/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
POLB P06746 1/20 0.33
TTPA P49638 1/20 0.32

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
Acetic Acid SCHEMBL8537257 0.84 MEN1 (0.38) MEN1KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL8534827 0.77 TTPA (0.39) MEN1KMT2ATTPA
SCHEMBL8537446 0.75 TTPA (0.36) MEN1KMT2ACYP1A2TTPA
SCHEMBL8537504 0.68 TTPA (0.37) MEN1KMT2ATTPA
SCHEMBL9285775 0.67 TTPA (0.36) MEN1KMT2ATTPA
SCHEMBL9665291 0.67 TTPA (0.33) MEN1KMT2ATTPA
SCHEMBL8931169 0.66 TTPA (0.36) MEN1KMT2ATTPA
SCHEMBL10473129 0.64 TTPA (0.38) MEN1KMT2ATTPA
SCHEMBL8867575 0.63 KCNE1 (0.38) MAPTALDH1A1HPGDGAAHSD17B10
SCHEMBL8868743 0.63 KCNE1 (0.38) MAPTALDH1A1HPGDGAAHSD17B10

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
US-5721233-A Derivatives of 2,3-dihydro benzofuranols MERRELL PHARMACEUTICALS INC. (US) 1998-02-24 US disclosed
EP-0635009-B1 NOVEL DERIVATIVES OF 2,3-DIHYDRO-2,2,4,6,7-PENTAALKYL-5-BENZOFURANOLS MERRELL PHARMA INC (US) 1997-09-17 EP disclosed
EP-0635009-A1 NOVEL DERIVATIVES OF 2,3-DIHYDRO-2,2,4,6,7-PENTAALKYL-5-BENZOFURANOLS. MERRELL DOW PHARMA (US) 1995-01-25 EP disclosed
WO-1993020057-A1 NOVEL DERIVATIVES OF 2,3-DIHYDRO-2,2,4,6,7-PENTAALKYL-5-BENZOFURANOLS MERRELL DOW PHARMACEUTICALS INC. (US) 1993-10-14 WO disclosed