SCHEMBL3371241

SCHEMBL3371241

Cc1ccc(C(O)(O)c2ccccc2)c(-c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC7 Q8WUI4 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.42
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
GPR55 Q9Y2T6 1/20 0.40
PSMB5 P28074 1/20 0.39
ESR2 Q92731 1/20 0.37
PTPN5 P54829 2/20 0.36
BACE1 P56817 1/20 0.36
MAOB P27338 1/20 0.36
KIF11 P52732 1/20 0.36
ACSS2 Q9NR19 1/20 0.36
ELANE P08246 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL29616670 0.77 HSD11B1 (0.46) HDAC7PTGDR2MAPTPSMB5MAOB
SCHEMBL23149011 0.77 HSD11B1 (0.46) HDAC7PTGDR2MAPTPSMB5MAOB
SCHEMBL8023325 0.75 PTGDR2 (0.40) HDAC7PTGDR2CNR1CNR2MEN1
SCHEMBL6334695 0.73 PTPN1 (0.40) HDAC7PTGDR2CNR1CNR2MEN1
SCHEMBL3005820 0.71 ELANE (0.52) HDAC7PTGDR2MEN1KMT2ALMNA
SCHEMBL30194845 0.71 ALDH1A1 (0.48) CNR1CNR2MEN1KMT2ALMNA
SCHEMBL6333099 0.70 CNR2 (0.43) HDAC7PTGDR2CNR1CNR2MEN1
SCHEMBL31027246 0.70 BACE1 (0.62) HDAC7PTGDR2MEN1KMT2ALMNA
SCHEMBL4280343 0.70 BACE1 (0.62) HDAC7PTGDR2MEN1KMT2ALMNA
SCHEMBL7763649 0.69 MEN1 (0.52) MEN1KMT2ALMNAMAPTGPR55

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
EP-1851266-B1 HYDROPHOBIC FLUORINATED POLYMER SURFACES UNIV MARBURG PHILIPPS (DE) 2010-10-13 EP disclosed