SCHEMBL8303786

SCHEMBL8303786

COc1ccc(Oc2ccc(C)cc2C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
AR P10275 1/20 0.47
GAA P10253 3/20 0.45
FFAR4 Q5NUL3 1/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
RELA Q04206 1/20 0.44
RAB9A P51151 1/20 0.44
LTA4H P09960 1/20 0.43
RAPGEF4 Q8WZA2 1/20 0.43
TP53 P04637 2/20 0.43
MAPT P10636 2/20 0.43

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
SCHEMBL28452075 0.92 SLC6A4 (0.45) ACHEL3MBTL1ARGAATDP1
SCHEMBL446449 0.90 AR (0.47) ACHEL3MBTL1ARGAATDP1
SCHEMBL740256 0.88 CA12 (0.52) ACHEL3MBTL1ARGAACA12
SCHEMBL22561630 0.87 ALDH1A1 (0.58) L3MBTL1ARGAATDP1ALDH1A1
SCHEMBL22199044 0.86 ACHE (0.52) ACHEL3MBTL1ARGAACA12
SCHEMBL5608759 0.84 GAA (0.55) ACHEL3MBTL1ARGAAFFAR4
SCHEMBL11855895 0.83 ACHE (0.57) ACHEL3MBTL1ARGAAALDH1A1
SCHEMBL11767346 0.83 CA12 (0.59) ACHEL3MBTL1ARGAACA12
SCHEMBL12770836 0.83 ACHE (0.48) ACHEARCA12CA1CA2
SCHEMBL19175092 0.82 SLC6A4 (0.50) ACHEL3MBTL1CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020141439-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-09 WO disclosed
EP-2316830-A2 N-sulphonylated amino acid derivatives and their use as matriptase inhibitors The Medicines Company (Leipzig) GmbH (DE) 2011-05-04 EP disclosed
WO-2007113327-A2 FUNGICIDE N-CYCLOPROPYL-SULFONYLAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2007-10-11 WO disclosed
US-7183278-B1 Picolinamide derivative and harmful organism control agent comprising said picolinamide derivative as active component MEIJI SEIKA KAISHA, LTD. (JP) 2007-02-27 US disclosed
US-7183278-B1 Picolinamide derivative and harmful organism control agent comprising said picolinamide derivative as active component MEIJI SEIKA KAISHA, LTD. (JP) 2007-02-27 US disclosed
WO-2004101507-A2 N-SULPHONYLATED AMINO ACID DERIVATIVES AND USE THEREOF AS MATRIPTASE INHIBITORS CURACYTE CHEMISTRY GMBH (DE) 2004-11-25 WO disclosed