SCHEMBL6992953

SCHEMBL6992953

Cc1cc(Br)ccc1OC(=O)C=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
LMNA P02545 3/20 0.44
ALDH1A1 P00352 4/20 0.43
POLB P06746 2/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RAB9A P51151 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 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
SCHEMBL1737797 0.80 CFD (0.53) KDM4ELMNAALDH1A1POLBHPGD
SCHEMBL5759353 0.80 KMT2A (0.40) KDM4ELMNAALDH1A1POLBHPGD
SCHEMBL27548979 0.79 TSHR (0.51) KDM4ELMNAALDH1A1HPGDNPSR1
SCHEMBL2569698 0.77 ALDH1A1 (0.48) KDM4ELMNAALDH1A1POLBHPGD
SCHEMBL25226665 0.76 DGAT1 (0.40) LMNAALDH1A1POLBHPGDNPSR1
SCHEMBL20660752 0.76 ALDH1A1 (0.47) KDM4ELMNAALDH1A1POLBHPGD
SCHEMBL5929563 0.76 ACHE (0.50) KDM4ELMNAALDH1A1POLBHPGD
SCHEMBL28320341 0.75 ALDH1A1 (0.46) KDM4ELMNAALDH1A1POLBHPGD
SCHEMBL18348326 0.74 KDM4E (0.42) KDM4ELMNAALDH1A1POLBHPGD
SCHEMBL259717 0.74 NPSR1 (0.46) KDM4ELMNAALDH1A1HPGDNPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1292593-A2 2-(3,5-DISUBSTITUTED-4-PYRIDYL)-4-(THIENYL, THIAZOLYL OR ARYLPHENYL)-1,3-OXAZOLINE COMPOUNDS Dow AgroSciences LLC (US) 2003-03-19 EP disclosed
WO-2001098296-A2 2-(3,5-DISUBSTITUTED-4-PYRIDYL)-4-(THIENYL, THIAZOLYL OR ARYLPHENYL)-1,3-OXAZOLINE COMPOUNDS DOW AGROSCIENCES LLC (US) 2001-12-27 WO disclosed