SCHEMBL4642017

SCHEMBL4642017

[CH2]CCCC(=O)Oc1ccccc1C=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.49
ALDH1A1 P00352 4/20 0.49
HPGD P15428 3/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KMT2A Q03164 6/20 0.46
MEN1 O00255 3/20 0.44
KDM4E B2RXH2 1/20 0.44
RECQL P46063 1/20 0.44
SRC P12931 2/20 0.44
LMNA P02545 3/20 0.42
GAA P10253 1/20 0.42
RAD52 P43351 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 2/20 0.38

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
SCHEMBL4647759 0.90 ALDH1A1 (0.52) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL4643449 0.85 ALDH1A1 (0.50) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL2762750 0.85 ALDH1A1 (0.50) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL20143639 0.84 KMT2A (0.63) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL4642152 0.84 ALDH1A1 (0.53) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL4644325 0.84 PTGDR2 (0.49) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL2763300 0.84 PTGDR2 (0.49) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL2762658 0.83 PTGDR2 (0.49) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL4641968 0.83 ALDH1A1 (0.55) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL4644068 0.83 ALDH1A1 (0.51) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2

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 3 patents. 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
EP-1487928-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT Jotun AS (NO) 2004-12-22 EP disclosed
WO-2003080747-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2003-10-02 WO disclosed