SCHEMBL2776838

SCHEMBL2776838

CCC(=O)c1ccccc1OCC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 7/20 0.50
KDM4E B2RXH2 3/20 0.45
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 3/20 0.43
POLB P06746 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
RAB9A P51151 1/20 0.43
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTT P42858 1/20 0.42
MCL1 Q07820 1/20 0.41

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
SCHEMBL375843 0.85 KDM4E (0.59) ABCB1KDM4EMEN1USP2TSHR
SCHEMBL22656552 0.84 POLB (0.50) KDM4EMEN1USP2TSHRKMT2A
SCHEMBL6571686 0.84 MAPT (0.52) KDM4EMEN1KMT2AALDH1A1POLB
SCHEMBL12466303 0.83 ALDH1A1 (0.54) ABCB1KDM4EMEN1TSHRKMT2A
SCHEMBL3618678 0.83 ALDH1A1 (0.56) ABCB1KDM4EMEN1USP2TSHR
SCHEMBL20235270 0.82 ALDH1A1 (0.52) MEN1TSHRKMT2AALDH1A1MAPT
SCHEMBL31425872 0.82 ALDH1A1 (0.52) MEN1TSHRKMT2AALDH1A1MAPT
SCHEMBL18702668 0.82 ABCB1 (0.71) ABCB1USP2TSHRALDH1A1RAB9A
SCHEMBL7823764 0.80 L3MBTL1 (0.64) ABCB1KDM4EMEN1USP2TSHR
SCHEMBL7862085 0.78 NOTUM (0.53) MEN1TSHRKMT2AALDH1A1TDP1

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
EP-2161266-A1 Benzofuran derivatives as orexin receptor antagonists EVOTEC Neurosciences GmbH (DE) 2010-03-10 EP disclosed
EP-2161266-A1 Benzofuran derivatives as orexin receptor antagonists EVOTEC Neurosciences GmbH (DE) 2010-03-10 EP disclosed