SCHEMBL7803604

SCHEMBL7803604

CCOC(=O)C=C(Cc1ccc(OCc2ccccc2)cc1)c1nc(C(F)(F)F)cs1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.43
ALOX5 P09917 5/20 0.43
NR1H4 Q96RI1 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LTA4H P09960 1/20 0.41
EPHX2 P34913 1/20 0.41
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PTPN1 P18031 3/20 0.39
PRMT5 O14744 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL6489697 0.89 LTA4H (0.44) MMP13ALOX5LTA4HEPHX2LTB4R
SCHEMBL6489689 0.89 LTA4H (0.44) MMP13ALOX5LTA4HEPHX2LTB4R
SCHEMBL6491209 0.82 LTA4H (0.48) MMP13ALOX5LTA4HEPHX2LTB4R
SCHEMBL7797646 0.80 ALOX5 (0.48) ALOX5NR1H4LMNAL3MBTL1LTB4R
SCHEMBL6178942 0.78 ALOX5 (0.47) ALOX5NR1H4LMNALTB4RLTB4R2
SCHEMBL6178946 0.78 ALOX5 (0.47) ALOX5NR1H4LMNALTB4RLTB4R2
SCHEMBL6490808 0.73 RAB9A (0.53) MMP13ALOX5NR1H4LMNAL3MBTL1
SCHEMBL6490812 0.73 RAB9A (0.53) MMP13ALOX5NR1H4LMNAL3MBTL1
SCHEMBL6176932 0.72 ALOX5 (0.52) ALOX5NR1H4LMNALTB4RLTB4R2
SCHEMBL27533969 0.71 PPARA (0.47) ALOX5LTA4HEPHX2PTPN1

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
US-6881736-B1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2005-04-19 US disclosed