SCHEMBL6686500

SCHEMBL6686500

CCOC(=O)CCCc1cc(Cl)ccc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.49
CYP4A11 Q02928 3/20 0.49
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 1/20 0.43
ALOX5 P09917 1/20 0.41
EGFR P00533 1/20 0.41
CYP4Z1 Q86W10 1/20 0.40
CYP4F11 Q9HBI6 1/20 0.40
CYP4F12 Q9HCS2 1/20 0.40
LMNA P02545 2/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL8361248 0.84 CYP4F2 (0.50) CYP4F2CYP4A11CYP3A4CYP2C9MEN1
SCHEMBL17345637 0.82 CYP4F2 (0.50) CYP4F2CYP4A11CYP1A2CYP3A4CYP2C9
SCHEMBL512637 0.81 KMT2A (0.46) CYP3A4CYP2C9MEN1KMT2AHPGD
SCHEMBL29924605 0.81 KMT2A (0.46) CYP3A4CYP2C9MEN1KMT2AHPGD
SCHEMBL1511092 0.81 CYP4F2 (0.64) CYP4F2CYP4A11CYP1A2CYP3A4CYP2C9
SCHEMBL4656411 0.80 ALDH1A1 (0.54) CYP4F2CYP4A11CYP1A2CYP3A4CYP2C9
SCHEMBL6686448 0.79 FFAR4 (0.51) SMN1; SMN2POLB
SCHEMBL27176866 0.78 CYP4F2 (0.66) CYP4F2CYP4A11CYP1A2CYP3A4CYP2C9
SCHEMBL8585798 0.78 CYP4F2 (0.57) CYP4F2CYP4A11CYP1A2CYP3A4CYP2C9
SCHEMBL901696 0.78 CYP4F2 (0.53) CYP4F2CYP4A11CYP3A4CYP2C9SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004071389-A2 NON-STEROIDAL INFALMMATION INHIBITORS GLAXO GROUP LIMITED (GB) 2004-08-26 WO disclosed