SCHEMBL7317829

SCHEMBL7317829

CCCCCCCOc1ccc(-c2ccc(C(=O)NNC(=O)c3ccc(C(=O)OC)cc3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.64
MAPT P10636 3/20 0.59
TP53 P04637 1/20 0.57
TSHR P16473 1/20 0.57
PLA2G4B P0C869 1/20 0.56
LMNA P02545 1/20 0.55
HSP90AA1 P07900 1/20 0.55
HTT P42858 1/20 0.55
KMT2A Q03164 1/20 0.55
PLK1 P53350 1/20 0.55
ALPI P09923 1/20 0.55
PPARG P37231 2/20 0.54
PPARA Q07869 1/20 0.54
RAB9A P51151 1/20 0.54
MMP1 P03956 1/20 0.53

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
SCHEMBL7325818 1.00 RARB (0.64) RARBMAPTTP53TSHRPLA2G4B
SCHEMBL7316188 0.99 RARB (0.62) RARBMAPTTP53TSHRPLA2G4B
SCHEMBL7339228 0.96 MAPT (0.64) RARBMAPTTP53TSHRPLA2G4B
SCHEMBL7322270 0.96 MAPT (0.64) RARBMAPTLMNAHSP90AA1HTT
SCHEMBL7337735 0.96 MAPT (0.64) RARBMAPTTP53TSHRPLA2G4B
SCHEMBL6539579 0.96 MAPT (0.64) RARBMAPTTP53TSHRPLA2G4B
SCHEMBL7338963 0.95 MAPT (0.66) RARBMAPTTP53TSHRPLA2G4B
SCHEMBL9164200 0.93 RARB (0.73) RARBMAPTTP53TSHRPLA2G4B
SCHEMBL9820479 0.93 RARB (0.73) RARBMAPTTP53TSHRPLA2G4B
SCHEMBL5352926 0.93 RARB (0.73) RARBMAPTTP53TSHRPLA2G4B

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
US-6232290-B1 FUNGICIDES AGAINST PNEUMOCYSTIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-15 US disclosed