SCHEMBL7740071

SCHEMBL7740071

CCOC(=O)COc1ccccc1Oc1c[c]c(F)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.43
PPOX P50336 1/20 0.41
ABCB1 P08183 1/20 0.41
CASP3 P42574 1/20 0.41
CASP7 P55210 1/20 0.41
CASP9 P55211 1/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PTPN1 P18031 1/20 0.41
NPC1 O15118 1/20 0.41
S1PR4 O95977 1/20 0.41
MAPT P10636 1/20 0.41
ITGA4 P13612 1/20 0.41
HPGD P15428 1/20 0.41
S1PR1 P21453 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL6592649 0.88 PPOX (0.47) TSHRPPOXCASP3CASP7CASP9
SCHEMBL6668914 0.86 L3MBTL1 (0.37) USP2TSHRPPOXALDH1A1LMNA
SCHEMBL7740125 0.85 GAA (0.46) TSHRPPOXALDH1A1LMNASMN1; SMN2
SCHEMBL7747650 0.84 PPARA (0.45) PPOXALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL6665284 0.79 ALDH1A1 (0.38) PPOXALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL8897355 0.76 TNF (0.39) TSHRPPOXALDH1A1LMNASMN1; SMN2
SCHEMBL21032979 0.76 TSHR (0.44) USP2TSHRPPOXABCB1CASP3
SCHEMBL6242836 0.75 PPOX (0.43) USP2TSHRPPOXABCB1CASP3
SCHEMBL2010417 0.75 USP2 (0.67) USP2ABCB1CASP3CASP7CASP9
SCHEMBL21033104 0.75 TSHR (0.45) USP2TSHRPPOXABCB1CASP3

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
WO-2001009087-A1 SUBSTITUTED ARYLHYDRAZONE CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-02-08 WO disclosed