SCHEMBL4647746

SCHEMBL4647746

C[CH]C(=O)Oc1ccc(C(=O)OCCC)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
TSHR P16473 3/20 0.60
ESR1 P03372 2/20 0.60
CHRM1 P11229 1/20 0.60
SLC6A2 P23975 1/20 0.60
KDR P35968 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
MAPT P10636 6/20 0.59
KMT2A Q03164 3/20 0.59
STS P08842 3/20 0.57
LMNA P02545 3/20 0.57
HPGD P15428 4/20 0.55
MEN1 O00255 2/20 0.55
THRB P10828 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP2D6 P10635 1/20 0.53
MAPK1 P28482 1/20 0.53
NR1H2 P55055 1/20 0.53

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
SCHEMBL19373814 0.86 MAPT (0.70) ALDH1A1TSHRESR1CHRM1SLC6A2
SCHEMBL4645794 0.86 ALDH1A1 (0.58) ALDH1A1TSHRESR1CHRM1SLC6A2
SCHEMBL15060570 0.86 TSHR (0.58) ALDH1A1TSHRESR1CHRM1SLC6A2
SCHEMBL4641483 0.84 MAPT (0.57) ALDH1A1TSHRESR1CHRM1SLC6A2
SCHEMBL4905564 0.84 MAPT (0.53) ALDH1A1TSHRESR1CHRM1SLC6A2
SCHEMBL4644691 0.83 ALDH1A1 (0.64) ALDH1A1TSHRESR1CHRM1SLC6A2
SCHEMBL10956264 0.83 LMNA (0.57) ALDH1A1TSHRESR1CHRM1SLC6A2
SCHEMBL49950 0.82 ALDH1A1 (0.84) ALDH1A1TSHRESR1CHRM1SLC6A2
SCHEMBL10600799 0.82 ALDH1A1 (0.62) ALDH1A1TSHRESR1CHRM1SLC6A2
SCHEMBL4644686 0.82 ALDH1A1 (0.62) ALDH1A1TSHRESR1CHRM1SLC6A2

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