SCHEMBL750022

SCHEMBL750022

COC(=O)NOC(=O)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
ALDH1A1 P00352 5/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
MAPK1 P28482 1/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
PAM P19021 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
THRB P10828 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
AKR1B1 P15121 1/20 0.45
HPGD P15428 1/20 0.44
SLC7A5 Q01650 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL27759597 0.85 L3MBTL1 (0.50) TSHRALDH1A1L3MBTL1MAPK1KDM4E
SCHEMBL27516923 0.84 TSHR (0.53) TSHRALDH1A1L3MBTL1MAPK1CES2
SCHEMBL1948655 0.83 CA12 (0.50) TSHRALDH1A1L3MBTL1MAPK1PAM
SCHEMBL27592314 0.83 ALDH1A1 (0.66) ALDH1A1L3MBTL1MAPK1LMNAPAM
SCHEMBL9006857 0.83 TDP1 (0.56) ALDH1A1L3MBTL1KDM4ELMNATDP1
SCHEMBL28478049 0.81 TSHR (0.50) TSHRALDH1A1L3MBTL1MAPK1CES2
Benzene SCHEMBL28096336 0.81 ALDH1A1 (0.62) TSHRALDH1A1L3MBTL1MAPK1CES2
SCHEMBL4675 0.81 ALDH1A1 (0.62) TSHRALDH1A1L3MBTL1MAPK1CES2
SCHEMBL1870609 0.81 ALDH1A1 (0.62) TSHRALDH1A1L3MBTL1MAPK1CES2
SCHEMBL16936971 0.80 L3MBTL1 (0.52) TSHRALDH1A1L3MBTL1MAPK1CES2

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-2430014-A1 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2012-03-21 EP disclosed
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 WO disclosed