SCHEMBL634623

SCHEMBL634623

CCN(CC)C(CO)C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
HCAR2 Q8TDS4 1/20 0.45
L3MBTL1 Q9Y468 4/20 0.45
TDP1 Q9NUW8 3/20 0.45
MAPK1 P28482 2/20 0.45
KMT2A Q03164 2/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HPGD P15428 2/20 0.43
MAPT P10636 1/20 0.43
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 2/20 0.41
PGR P06401 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41
KCNH2 Q12809 1/20 0.41
CTRB1 P17538 2/20 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
SCHEMBL824998 1.00 ALDH1A1 (0.50) ALDH1A1HCAR2L3MBTL1TDP1MAPK1
Trifluoroacetic Acid SCHEMBL27873675 0.92 ALDH1A1 (0.43) ALDH1A1HCAR2L3MBTL1TDP1MAPK1
SCHEMBL18901917 0.89 ALDH1A1 (0.51) ALDH1A1HCAR2L3MBTL1TDP1MAPK1
SCHEMBL15448254 0.86 ALDH1A1 (0.47) ALDH1A1HCAR2L3MBTL1TDP1MAPK1
SCHEMBL12799366 0.86 ALDH1A1 (0.47) ALDH1A1HCAR2L3MBTL1TDP1MAPK1
SCHEMBL10315706 0.86 ALDH1A1 (0.47) ALDH1A1HCAR2L3MBTL1TDP1MAPK1
SCHEMBL27012170 0.84 FOLH1 (0.49) ALDH1A1HCAR2L3MBTL1TDP1MAPK1
SCHEMBL12619862 0.79 ALDH1A1 (0.45) ALDH1A1L3MBTL1TDP1MAPK1KMT2A
SCHEMBL842166 0.78 ALDH1A1 (0.50) ALDH1A1HCAR2L3MBTL1TDP1MAPK1
SCHEMBL20363032 0.78 ALDH1A1 (0.50) ALDH1A1HCAR2L3MBTL1TDP1MAPK1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 EP disclosed
EP-2513091-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-04-12 EP disclosed
EP-2499132-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-02-15 EP disclosed
CN-102448956-B Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2015-05-06 CN disclosed
CN-102459250-B Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2015-05-06 CN disclosed
CN-102459281-B Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2015-03-11 CN disclosed
CN-102378762-B Hepatitis c virus inhibitors BRISTOL-MYERS SQUIBB CO. (US) 2014-10-29 CN disclosed
CN-102712628-B Hepatitis c virus inhibitors BRISTOL-MYERS SQUIBB CO. (US) 2014-10-15 CN disclosed
CN-101998952-B Hepatitis c virus inhibitors BRISTOL-MYERS SQUIBB CO. (US) 2014-10-08 CN disclosed
CN-102712623-B Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2014-04-02 CN disclosed
CN-102459281-A Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2012-05-16 CN disclosed
CN-102459239-A Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2012-05-16 CN disclosed
CN-102459250-A Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2012-05-16 CN disclosed
CN-102448956-A Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2012-05-09 CN disclosed
CN-102378762-A Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2012-03-14 CN disclosed
EP-2419433-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2012-02-22 EP disclosed
CN-102007122-A Imidazolyl biphenyl imidazoles as hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2011-04-06 CN disclosed
CN-101998952-A Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2011-03-30 CN disclosed
WO-2010120621-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-21 WO disclosed
CN-101754966-A Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2010-06-23 CN disclosed