SCHEMBL8480899

SCHEMBL8480899

CCCc1[c]c(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)c2c1OCO2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 1/20 0.37
ALKBH5 Q6P6C2 1/20 0.35
PREP P48147 1/20 0.34
FPR1 P21462 1/20 0.33
DCTPP1 Q9H773 1/20 0.33
PTGS2 P35354 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
CASP3 P42574 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
DRD2 P14416 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 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
SCHEMBL8478501 0.92 MAPT (0.37) MAPTALDH1A1DCTPP1PTGS2ESR1
SCHEMBL8479657 0.90 PREP (0.38) MAPTALDH1A1ALKBH5PREPPTGS2
SCHEMBL8478143 0.89 PTGS2 (0.42) ALKBH5PREPPTGS2ESR1ESR2
SCHEMBL8478779 0.84 ALDH1A1 (0.32) MAPTALDH1A1CYP3A4KDM4EHPGD
SCHEMBL8480055 0.82 ESR1 (0.36) MAPTALDH1A1PTGS2ESR1ESR2
SCHEMBL8474754 0.80 ALDH1A1 (0.41) MAPTALDH1A1CYP3A4PTGS2DRD2
SCHEMBL8475809 0.77 MAPT (0.38) MAPTALDH1A1DCTPP1PTGS2ESR1
SCHEMBL8477572 0.76 KDM4E (0.30) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8474843 0.75 KDM4E (0.39) MAPTALDH1A1CYP3A4PTGS2KDM4E
SCHEMBL8474773 0.74 MAPT (0.38) MAPTALDH1A1DCTPP1PTGS2ESR1

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