SCHEMBL21850320

SCHEMBL21850320

CCC(=O)OC(C)CC(C)(C)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
KCNH2 Q12809 2/20 0.38
OPRM1 P35372 2/20 0.38
OPRD1 P41143 2/20 0.38
MRGPRX2 Q96LB1 1/20 0.38
CHRM3 P20309 1/20 0.38
HRH2 P25021 1/20 0.38
HTR2A P28223 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRK1 P41145 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 2/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
CTSS P25774 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL21850454 0.88 ALDH1A1 (0.38) ALDH1A1LMNAHPGDL3MBTL1
SCHEMBL21850459 0.86 ALOX15 (0.33)
SCHEMBL21850356 0.86 KMT2A (0.37) TSHRALDH1A1LMNAHPGDL3MBTL1
SCHEMBL21850322 0.77 NAAA (0.32) LMNA
SCHEMBL4965733 0.77 TSHR (0.53) TSHR
SCHEMBL11938480 0.77 ALDH1A1 (0.46) TSHRALDH1A1MAPK1L3MBTL1CTSS
SCHEMBL19720248 0.76 TSHR (0.36) TSHRALDH1A1MAPK1LMNAHPGD
SCHEMBL21467431 0.76 TSHR (0.36) TSHRALDH1A1MAPK1LMNAHPGD
SCHEMBL19720286 0.76 TRPA1 (0.43) TSHRALDH1A1MAPK1LMNAHPGD
SCHEMBL15930165 0.75 TSHR (0.41) TSHRALDH1A1MAPK1LMNAHPGD

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