SCHEMBL8478501

SCHEMBL8478501

CCCc1[c]c(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)c2c1OCCO2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
DCTPP1 Q9H773 2/20 0.33
PTGS2 P35354 4/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
DRD2 P14416 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
GAA P10253 2/20 0.32
ALOX12 P18054 2/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL8480899 0.92 MAPT (0.37) MAPTDCTPP1PTGS2ESR1ESR2
SCHEMBL8480055 0.90 ESR1 (0.36) MAPTPTGS2ESR1ESR2KDM4E
SCHEMBL8477572 0.84 KDM4E (0.30) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL8479657 0.82 PREP (0.38) MAPTPTGS2ESR1ESR2KDM4E
SCHEMBL8478143 0.81 PTGS2 (0.42) PTGS2ESR1ESR2MEN1KMT2A
SCHEMBL8475809 0.77 MAPT (0.38) MAPTDCTPP1PTGS2ESR1ESR2
SCHEMBL8478779 0.76 ALDH1A1 (0.32) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL8474843 0.75 KDM4E (0.39) MAPTPTGS2KDM4EALDH1A1MEN1
SCHEMBL8477582 0.74 MAPT (0.38) MAPTDCTPP1PTGS2ESR1ESR2
SCHEMBL8474773 0.74 MAPT (0.38) MAPTDCTPP1PTGS2ESR1ESR2

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-6004988-A Carboxylic acid derivatives, their preparation and their use BASF AKTIENGESELLSCHAFT (DE) 1999-12-21 US disclosed