SCHEMBL29401587

SCHEMBL29401587

CC(C)C(=O)c1c(Br)cccc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRNP P04156 1/20 0.44
F2R P25116 2/20 0.43
ALDH1A1 P00352 5/20 0.43
ALOX15 P16050 1/20 0.40
FABP4 P15090 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL24254622 0.85 FFAR1 (0.43) F2RALDH1A1KMT2AMEN1HPGD
SCHEMBL29480975 0.81 F2R (0.43) F2RALDH1A1KMT2AMEN1KDM4E
SCHEMBL29540504 0.81 PRNP (0.56) PRNPALDH1A1ALOX15FABP4KMT2A
SCHEMBL241422 0.81 PRNP (0.56) PRNPALDH1A1ALOX15FABP4KMT2A
SCHEMBL3309613 0.80 ALDH1A1 (0.53) ALDH1A1ALOX15FABP4L3MBTL1KMT2A
SCHEMBL6272437 0.79 PRNP (0.47) PRNPALDH1A1ALOX15FABP4KMT2A
SCHEMBL551896 0.78 ALDH1A1 (0.47) PRNPF2RALDH1A1FABP4KMT2A
SCHEMBL29480920 0.78 TSHR (0.53) F2RALDH1A1ALOX15KMT2AMEN1
SCHEMBL31582514 0.76 PRNP (0.45) PRNPALDH1A1ALOX15FABP4KMT2A
SCHEMBL61847 0.76 CES2 (0.47) KMT2AMEN1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114174278-B Dihydroorotate dehydrogenase inhibitors 詹森生物科技公司 2024-08-23 CN disclosed
CN-114174278-A Dihydroorotate dehydrogenase inhibitors 詹森生物科技公司 2022-03-11 CN disclosed
EP-3956320-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS Janssen Biotech, Inc. (US) 2022-02-23 EP disclosed