SCHEMBL3828264

SCHEMBL3828264

COCOC(=O)C(C)=CC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TSHR P16473 1/20 0.34
EPHX2 P34913 1/20 0.33
ATM Q13315 1/20 0.33
HSD11B1 P28845 1/20 0.32
LMNA P02545 2/20 0.32
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GLA P06280 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
SCHEMBL25401545 0.84 LMNA (0.43) ALDH1A1MEN1KMT2AEPHX2LMNA
SCHEMBL7125894 0.82 GLA (0.40) ALDH1A1MEN1KMT2ATSHREPHX2
SCHEMBL702221 0.82 GLA (0.40) ALDH1A1MEN1KMT2ATSHREPHX2
SCHEMBL28439791 0.79 HTT (0.36) ALDH1A1MEN1KMT2AEPHX2ATM
SCHEMBL2250804 0.78 ALDH1A1 (0.33) ALDH1A1MEN1KMT2AEPHX2THRB
SCHEMBL28909436 0.78 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ATSHR
Acrylic Acid SCHEMBL25386696 0.77 EPHX2 (0.32) EPHX2
SCHEMBL15348321 0.76 NAAA (0.36) ALDH1A1MEN1KMT2AEPHX2THRB
SCHEMBL14973423 0.74 EPHX2 (0.35) ALDH1A1TSHREPHX2LMNAHTT
SCHEMBL757168 0.72 THRB (0.39) ALDH1A1EPHX2HSD11B1THRBSMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2102156-B1 PHOTOACTIVE COMPOUNDS MERCK PATENT GMBH (DE) 2019-06-26 EP disclosed
EP-2102184-A2 PHOTOACTIVE COMPOUNDS AZ Electronic Materials USA Corp. (US) 2009-09-23 EP disclosed
EP-2102156-A2 PHOTOACTIVE COMPOUNDS AZ Electronic Materials USA Corp. (US) 2009-09-23 EP disclosed
WO-2008068617-A2 PHOTOACTIVE COMPOUNDS AZ ELECTRONIC MATERIALS USA CORP. (DE) 2008-06-12 WO disclosed
WO-2008068610-A2 PHOTOACTIVE COMPOUNDS AZ ELECTRONIC MATERIALS USA CORP. (DE) 2008-06-12 WO disclosed