SCHEMBL21850436

SCHEMBL21850436

CC(CCOc1ccccc1)OC(=O)CNC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.44
CA1 P00915 5/20 0.44
CA2 P00918 5/20 0.44
CA9 Q16790 5/20 0.44
HPGD P15428 1/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
GPR88 Q9GZN0 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
IDO1 P14902 1/20 0.40
ALDH1A1 P00352 1/20 0.40
EPHX2 P34913 1/20 0.39
RECQL P46063 1/20 0.39
PDK2 Q15119 1/20 0.39
SYK P43405 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
SCHEMBL23766658 0.81 ALDH1A1 (0.45) HPGDMTNR1AMTNR1BNPC1POLB
SCHEMBL8435204 0.78 MTNR1A (0.48) CA12CA1CA2CA9HPGD
SCHEMBL21850344 0.78 SYK (0.42) HPGDMTNR1AMTNR1BNPC1RAB9A
SCHEMBL21850371 0.77 TDP1 (0.50) HPGDMTNR1AMTNR1BL3MBTL1RAB9A
SCHEMBL17675706 0.77 CA12 (0.67) CA12CA1CA2CA9HPGD
SCHEMBL4644431 0.77 MEN1 (0.38) CA12CA1CA2CA9HPGD
SCHEMBL22474264 0.77 CTSS (0.57) HPGDALDH1A1
SCHEMBL24920672 0.76 CA12 (0.67) CA12CA1CA2CA9HPGD
SCHEMBL21850369 0.76 MEN1 (0.44) CA12CA1CA2ALDH1A1
SCHEMBL5849169 0.76 EPHX2 (0.50) CA12CA1HPGDRAB9AIDO1

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-3240408-B1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2020-04-08 EP disclosed