SCHEMBL21850461

SCHEMBL21850461

CCC(CC(C)OC(=O)CNC(=O)c1nccc(OC)c1OCOC(C)=O)Oc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 3/20 0.33
POLB P06746 2/20 0.32
TSHR P16473 1/20 0.32
MTNR1A P48039 2/20 0.32
MTNR1B P49286 2/20 0.32
BRD4 O60885 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
EGLN1 Q9GZT9 2/20 0.31
HTT P42858 1/20 0.31
KCNA5 P22460 1/20 0.30

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
SCHEMBL21850442 0.91 MTNR1A (0.33) GAARAB9AALDH1A1POLBTSHR
SCHEMBL21850414 0.86 EGLN1 (0.36) POLBTSHREGLN1
SCHEMBL21850464 0.85 MAPT (0.33) GAAKMT2A
SCHEMBL21850370 0.85 KMT2A (0.38) GAARAB9ATSHRKMT2AKDM4E
SCHEMBL17905165 0.84 KDM4E (0.34) GAARAB9AALDH1A1POLBMTNR1A
SCHEMBL25022102 0.83 EGLN1 (0.37) RAB9AALDH1A1POLBEGLN1HTT
SCHEMBL22474331 0.82 SMN1; SMN2 (0.39) GAARAB9AALDH1A1POLBMTNR1A
SCHEMBL22474340 0.82 MAPT (0.38) RAB9AKMT2AEGLN1
SCHEMBL17904875 0.82 BRD4 (0.31) GAARAB9AALDH1A1BRD4KMT2A
SCHEMBL25021364 0.81 ALDH1A1 (0.36) GAAALDH1A1TSHRKMT2AKDM4E

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