SCHEMBL4642014

SCHEMBL4642014

CCC[CH]C(=O)Oc1ccccc1C=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.49
ALDH1A1 P00352 5/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SRC P12931 2/20 0.44
LMNA P02545 3/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
THRB P10828 2/20 0.40
THRA P10827 1/20 0.40
TLR2 O60603 1/20 0.40
ERN1 O75460 1/20 0.40
TLR1 Q15399 1/20 0.40
TLR6 Q9Y2C9 1/20 0.40
MEN1 O00255 2/20 0.39

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
SCHEMBL4647755 0.87 ALDH1A1 (0.52) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL4643837 0.83 SRC (0.51) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL4646795 0.82 POLB (0.45) ALDH1A1HTTSMN1; SMN2LMNAKMT2A
SCHEMBL4643846 0.82 GAA (0.43) ALDH1A1HPGDHTTLMNAKMT2A
SCHEMBL4647884 0.82 ALDH1A1 (0.42) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL4644460 0.81 PTGDR2 (0.52) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL4644428 0.80 CREBBP (0.40) PTGDR2ALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL4644034 0.80 KDM4E (0.50) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL4643524 0.79 CA1 (0.54) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL4643685 0.79 ERN1 (0.42) 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