SCHEMBL6514684

SCHEMBL6514684

OCCCc1c(F)cccc1B(O)O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.37
POLB P06746 1/20 0.37
LIPG Q9Y5X9 1/20 0.36
LMNA P02545 2/20 0.35
HPGD P15428 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
ALDH1A1 P00352 3/20 0.34
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
GAA P10253 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
SCN8A Q9UQD0 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL2551774 0.82 TAAR1 (0.42) KDM4EPOLBLMNAHPGDTAAR1
SCHEMBL21462756 0.81 TAAR1 (0.38) KDM4EPOLBTAAR1ALDH1A1GAA
SCHEMBL2199784 0.74 TAAR1 (0.63) KDM4ETAAR1GAASMN1; SMN2
SCHEMBL6518274 0.74 EED (0.36) KDM4EPOLBLMNAHPGDTAAR1
SCHEMBL6284488 0.71 STIM1 (0.39) KDM4EPOLBTAAR1SMN1; SMN2
SCHEMBL9627 0.70 ACHE (0.39) ALDH1A1GAASMN1; SMN2
SCHEMBL29257739 0.69 ACHE (0.44) KDM4ELMNAHPGDTAAR1ALDH1A1
SCHEMBL249134 0.69 TAAR1 (0.45) KDM4EPOLBLMNAHPGDTAAR1
SCHEMBL3196068 0.68 LIPG (0.35) KDM4ELIPGLMNAHPGDALDH1A1
SCHEMBL29399046 0.68 CES2 (0.43) HPGD

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-1565452-A2 3-SUBSTITUTED-6-ARYL PYRIDINES AS LIGANDS OF C5A RECEPTORS NEUROGEN CORPORATION (US) 2005-08-24 EP disclosed
WO-2004043925-A2 3-SUBSTITUTED-6-ARYL PYRIDINED AS LIGANDS OF C5A RECEPTORS NEUROGEN CORPORATION (US) 2004-05-27 WO disclosed