SCHEMBL631838

SCHEMBL631838

CCc1ccccc1C(=O)OCl

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.48
ALDH1A1 P00352 6/20 0.46
LMNA P02545 2/20 0.46
UTS2R Q9UKP6 1/20 0.46
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
CLCN2 P51788 1/20 0.41
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
KMT2A Q03164 1/20 0.39
F2R P25116 1/20 0.39

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
SCHEMBL6464901 0.83 TSHR (0.52) TSHRALDH1A1LMNAUTS2RTDP1
SCHEMBL739158 0.83 TSHR (0.52) TSHRALDH1A1LMNAUTS2RTDP1
SCHEMBL5074600 0.82 FOLH1 (0.43) TSHRALDH1A1LMNAL3MBTL1HTT
SCHEMBL14436829 0.82 ALDH1A1 (0.41) TSHRALDH1A1LMNATDP1L3MBTL1
SCHEMBL156281 0.82 ALDH1A1 (0.66) TSHRALDH1A1LMNAHTTHSD17B10
SCHEMBL1532511 0.82 TSHR (0.50) TSHRALDH1A1LMNAUTS2RTDP1
SCHEMBL28790653 0.80 ALDH1A1 (0.41) TSHRALDH1A1LMNAHSD17B10KMT2A
SCHEMBL1119555 0.80 TSHR (0.50) TSHRALDH1A1LMNATDP1L3MBTL1
SCHEMBL12814338 0.80 TSHR (0.48) TSHRALDH1A1LMNAUTS2RTDP1
SCHEMBL8438433 0.80 ALDH1A1 (0.50) TSHRALDH1A1LMNAUTS2RTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102115757-A Biosynthetic gene cluster of tiacumicins and application thereof SOUTH CHINA SEA INST OCEANOLOG 2011-07-06 CN claimed
CN-102115757-B Platform hooks biological synthesis gene cluster and the application thereof of mycin SOUTH CHINA SEA INSTITUTE OF OCEANOLOGY, CHINESE ACADEMY OF SCIENCES (CN) 2015-10-28 CN disclosed
CN-102134214-B Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB 2013-05-22 CN disclosed
EP-2419458-A1 PROCATALYST COMPOSITION WITH SILYL GLUTARATE AND METHOD Dow Global Technologies LLC (US) 2012-02-22 EP disclosed
CN-102134214-A Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA SWEDEN AB 2011-07-27 CN disclosed
CN-102115757-A Biosynthetic gene cluster of tiacumicins and application thereof SOUTH CHINA SEA INST OCEANOLOG 2011-07-06 CN disclosed
CN-101039907-B Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB 2011-02-23 CN disclosed
WO-2010120973-A1 PROCATALYST COMPOSITION WITH SILYL GLUTARATE AND METHOD DOW GLOBAL TECHNOLOGIES INC. (US) 2010-10-21 WO disclosed
CN-101039907-A Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2007-09-19 CN disclosed
US-5330949-A Catalyst supports, silicon dioxide modified with a chlorosilane, an alcohol and a magnesium alkoxide, reduced catalyst residue IDEMITSU PETROCHEMICAL COMPANY, LTD. (JP) 1994-07-19 US disclosed