SCHEMBL4644974

SCHEMBL4644974

O=Cc1cc(Br)ccc1OC(=O)CCCO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.54
KDM4E B2RXH2 5/20 0.43
KMT2A Q03164 4/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
ERN1 O75460 2/20 0.42
TSHR P16473 2/20 0.38
POLB P06746 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PLA2G1B P04054 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
HPGD P15428 2/20 0.35
MEN1 O00255 1/20 0.35
RECQL P46063 1/20 0.35
ALOX15 P16050 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL4642317 0.96 PTGDR2 (0.52) PTGDR2KDM4EKMT2ALMNAHTT
SCHEMBL4641651 0.91 PTGDR2 (0.56) PTGDR2KDM4EKMT2ALMNAHTT
SCHEMBL4644707 0.87 PTGDR2 (0.56) PTGDR2KDM4EKMT2AERN1TSHR
SCHEMBL4644462 0.87 PTGDR2 (0.52) PTGDR2KDM4EKMT2ALMNAERN1
SCHEMBL4644906 0.86 PTGDR2 (0.55) PTGDR2KDM4EKMT2AERN1TSHR
SCHEMBL4647217 0.85 PTGDR2 (0.59) PTGDR2KDM4EKMT2AERN1TSHR
SCHEMBL4644287 0.84 PTGDR2 (0.55) PTGDR2KDM4EKMT2ALMNAERN1
SCHEMBL4643981 0.84 PTGDR2 (0.55) PTGDR2KDM4EKMT2AERN1TSHR
SCHEMBL4646089 0.81 PTGDR2 (0.57) PTGDR2KDM4EKMT2ALMNAERN1
SCHEMBL4643959 0.81 KDM4E (0.50) KDM4EKMT2ALMNAERN1TDP1

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-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP disclosed