SCHEMBL5669681

SCHEMBL5669681

CC1=C(C)c2c(ccc3cccc(C)c23)C(C)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 2/20 0.36
ALDH1A1 P00352 5/20 0.34
HPGD P15428 4/20 0.34
HSD17B10 Q99714 4/20 0.34
CYP3A4 P08684 2/20 0.34
TSHR P16473 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ACHE P22303 1/20 0.33
ELANE P08246 6/20 0.32
PARP1 P09874 1/20 0.32
CYP1B1 Q16678 3/20 0.31
CYP1A1 P04798 1/20 0.31
KDM4E B2RXH2 2/20 0.31
DAO P14920 1/20 0.31
DDO Q99489 1/20 0.31
LMNA P02545 1/20 0.31
CDK2 P24941 1/20 0.31

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
SCHEMBL4647758 0.67 CYP1A2 (0.59) MEN1KMT2ACYP1A2ALDH1A1HPGD
SCHEMBL29353343 0.65 ALDH1A1 (0.53) MEN1KMT2ACYP1A2ALDH1A1HPGD
SCHEMBL588459 0.65 ALDH1A1 (0.53) MEN1KMT2ACYP1A2ALDH1A1HPGD
SCHEMBL8363928 0.65 ALDH1A1 (0.45) MEN1KMT2AALDH1A1HPGDHSD17B10
Formaldehyde SCHEMBL28821851 0.64 CYP1A2 (0.52) MEN1KMT2ACYP1A2ALDH1A1HPGD
SCHEMBL7130502 0.63 ALDH1A1 (0.40) MEN1KMT2AALDH1A1HPGDHSD17B10
SCHEMBL3295896 0.63 ALDH1A1 (0.40) CYP1A2ALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL5950773 0.62 ALDH1A1 (0.56) MEN1KMT2ACYP1A2ALDH1A1HPGD
SCHEMBL5950767 0.61 ALDH1A1 (0.50) MEN1KMT2ACYP1A2ALDH1A1HPGD
SCHEMBL13302890 0.61 ALDH1A1 (0.56) MEN1KMT2AALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465615-A4 TRICYCLIC-BIS-ENONE DERIVATIVES AND METHODS OF USE THEREOF DARTMOUTH COLLEGE (US) 2006-09-06 EP disclosed
EP-1465615-A1 TRICYCLIC-BIS-ENONE DERIVATIVES AND METHODS OF USE THEREOF Trustees of Dartmouth College (US) 2004-10-13 EP disclosed
WO-2003059339-A1 TRICYCLIC-BIS-ENONE DERIVATIVES AND METHODS OF USE THEREOF TRUSTEES OF DARTMOUTH COLLEGE (US) 2003-07-24 WO disclosed