SCHEMBL916262

SCHEMBL916262

c1ccc(COCc2ccco2)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.60
DAO P14920 1/20 0.49
ALDH1A1 P00352 1/20 0.46
CYP2C19 P33261 1/20 0.45
SGMS2 Q8NHU3 2/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP2D6 P10635 1/20 0.42
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
HTR2B P41595 1/20 0.41
POLB P06746 1/20 0.41
IDO1 P14902 1/20 0.40

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
SCHEMBL23902901 0.92 ALDH1A1 (0.48) TSHRDAOALDH1A1CYP2C19SGMS2
SCHEMBL891457 0.87 ALDH1A1 (0.55) TSHRALDH1A1GAAMAPTL3MBTL1
SCHEMBL14893122 0.86 ALDH1A1 (0.47) TSHRALDH1A1CYP2C19SGMS2GAA
SCHEMBL10485701 0.85 ALDH1A1 (0.53) TSHRALDH1A1GAAMAPTL3MBTL1
SCHEMBL11932948 0.85 TSHR (0.42) TSHRDAOALDH1A1CYP2C19SGMS2
SCHEMBL11932932 0.82 ALDH1A1 (0.41) TSHRDAOALDH1A1CYP2C19GAA
SCHEMBL13936102 0.80 CYP2C19 (0.42) TSHRDAOALDH1A1CYP2C19MAPT
SCHEMBL9994936 0.79 NOS3 (0.43) DAOALDH1A1GAAMAPTCYP2D6
SCHEMBL29955505 0.79 ALDH1A1 (0.42) TSHRDAOALDH1A1CYP2C19GAA
SCHEMBL18920913 0.79 ALDH1A1 (0.40) TSHRALDH1A1CYP2C19GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110642866-B Dihydrofuranquinoline derivative and synthesis method and application thereof 广西师范大学 2021-08-03 CN disclosed
CN-110642866-A Dihydrofuranquinoline derivative and synthesis method and application thereof 广西师范大学 2020-01-03 CN disclosed
US-9487602-B2 Furan based resin, process for the preparation thereof, and use of the compound DSM IP ASSETS B.V. (NL) 2016-11-08 US disclosed
US-20130109822-A1 FURAN BASED RESIN, PROCESS FOR THE PREPARATION THEREOF, AND USE OF THE COMPOUND DSM IP ASSETS B.V. (NL) 2013-05-02 US disclosed
US-20110021740-A1 FURAN BASED RESIN, PROCESS FOR THE PREPARATION THEREOF, AND USE OF THE COMPOUND DSM IP ASSETS B.V. (NL) 2011-01-27 US disclosed
EP-2222656-A1 FURAN BASED RESIN, PROCESS FOR THE PREPARATION THEREOF, AND USE OF THE COMPOUND DSM IP Assets B.V. (NL) 2010-09-01 EP disclosed
WO-2009077587-A1 FURAN BASED RESIN, PROCESS FOR THE PREPARATION THEREOF, AND USE OF THE COMPOUND DSM IP ASSETS B.V. (NL) 2009-06-25 WO disclosed
CN-1482122-A Intermediates for producing 2-thiosubstituted carbapenems 2004-03-17 CN disclosed
CN-1136208-C Intermediates for the preparation of 2-thiocarbpenems 2004-01-28 CN disclosed
CN-1223261-A Novel 2-thiocarbpenems AMERICAN CYANAMID CO (US) 1999-07-21 CN disclosed
CN-1041633-C Novel 2-thiocarbpenems AMERICAN CRANAMID CO (US) 1999-01-13 CN disclosed