SCHEMBL9683874

SCHEMBL9683874

CC(=O)Oc1ccc2ccccc2c1[O]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 10/20 0.51
SLC22A6 Q4U2R8 1/20 0.47
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
GAA P10253 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
ALDH1A1 P00352 2/20 0.44
PTGS1 P23219 2/20 0.44
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ESR1 P03372 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
HMGB1 P09429 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
GGT1 P19440 1/20 0.44
PTGS2 P35354 1/20 0.44
BLM P54132 1/20 0.44

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
SCHEMBL12199931 0.84 MAPT (0.58) NCEH1SLC22A6LMNAHTTGAA
SCHEMBL10334136 0.84 NCEH1 (0.71) NCEH1SLC22A6LMNAHTTGAA
SCHEMBL30710587 0.84 MAPT (0.58) NCEH1SLC22A6LMNAHTTGAA
SCHEMBL9488962 0.82 HTT (0.54) NCEH1SLC22A6LMNAHTTGAA
SCHEMBL6142391 0.82 NCEH1 (0.51) NCEH1SLC22A6LMNAHTTGAA
SCHEMBL23930399 0.81 NCEH1 (0.72) NCEH1SLC22A6LMNAHTTGAA
SCHEMBL29946533 0.81 NCEH1 (0.69) NCEH1SLC22A6LMNAHTTGAA
SCHEMBL27547560 0.81 NCEH1 (0.69) NCEH1LMNAHTTGAANPSR1
Alpha-Naphthylacetate SCHEMBL76633 0.79 ALDH1A1 (0.66) SLC22A6HTTGAAALDH1A1PTGS1
Alpha-Naphthylacetate SCHEMBL29372782 0.79 ALDH1A1 (0.66) SLC22A6HTTGAAALDH1A1PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0490751-A1 Derivatives of naphthyloxy benzoic and naphthoic acids, and their synthesis process ELF ATOCHEM S.A. (FR) 1992-06-17 EP claimed
EP-0490751-A1 Derivatives of naphthyloxy benzoic and naphthoic acids, and their synthesis process ELF ATOCHEM S.A. (FR) 1992-06-17 EP disclosed