SCHEMBL8537446

SCHEMBL8537446

CC(=O)Oc1c(C)c(C)c2c(c1C)C(CN1CCN(C)CC1)C(C)(C)O2

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TTPA P49638 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE4A P27815 1/20 0.35
PDE3A Q14432 1/20 0.35
ALOX5 P09917 1/20 0.33
CYP1A2 P05177 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
Carbromal SCHEMBL8931164 0.81
SCHEMBL8867454 0.81 CYP3A4 (0.31) KMT2ACYP1A2
SCHEMBL8532916 0.81 CYP3A4 (0.31) KMT2ACYP1A2
Hydrochloric Acid SCHEMBL8931170 0.80 GMNN (0.32) KMT2A
Water SCHEMBL8931171 0.80 USP2 (0.30) KMT2A
SCHEMBL8534827 0.80 TTPA (0.39) TTPAMEN1KMT2APDE4APDE3A
Hydrochloric Acid SCHEMBL8867577 0.79 GMNN (0.31) KMT2A
Hydrochloric Acid SCHEMBL8867573 0.79 GMNN (0.31) KMT2A
SCHEMBL8537258 0.75 MEN1 (0.37) TTPAMEN1KMT2ACYP1A2
Carbromal SCHEMBL8931168 0.74

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 2 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 claimed
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 claimed