SCHEMBL30189210

SCHEMBL30189210

COc1n[nH]c2ccc(C(=O)O)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 6/20 0.50
MAPK1 P28482 6/20 0.50
MAPK6 Q16659 4/20 0.50
MAPKAPK3 Q16644 3/20 0.50
PRKAG1 P54619 1/20 0.48
PRKAA1 Q13131 1/20 0.48
PRKAB1 Q9Y478 1/20 0.48
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
THRB P10828 1/20 0.46
HPGD P15428 1/20 0.46
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA12 O43570 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA7 P43166 1/20 0.45
TPMT P51580 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45

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
SCHEMBL2671776 1.00 MAP2K4 (0.50) MAP2K4MAPK1MAPK6MAPKAPK3PRKAG1
SCHEMBL2671667 0.88 MAP2K4 (0.47) MAP2K4MAPK1MAPK6MAPKAPK3PRKAG1
SCHEMBL30189262 0.88 MAP2K4 (0.47) MAP2K4MAPK1MAPK6MAPKAPK3PRKAG1
SCHEMBL29301471 0.86 KDM4E (0.50) MAP2K4KDM4EALDH1A1HPGDCA1
SCHEMBL30147526 0.84 CCNC (0.50) LRRK2JAK2JAK1
SCHEMBL4404504 0.84 MEN1 (0.45) MAP2K4MAPK1MAPK6MAPKAPK3PRKAG1
SCHEMBL10242014 0.84 ACACB (0.44) MAP2K4MAPK1MAPK6MAPKAPK3PRKAG1
SCHEMBL31504557 0.79 MAP2K4 (0.57) MAP2K4MAPK1MAPK6MAPKAPK3KDM4E
SCHEMBL1145076 0.79 MAP2K4 (0.57) MAP2K4MAPK1MAPK6MAPKAPK3KDM4E
SCHEMBL2671070 0.77 MAP2K4 (0.55) MAP2K4MAPK1MAPK6MAPKAPK3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4149945-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2023-03-22 EP disclosed