SCHEMBL6170865

SCHEMBL6170865

COc1ccc(C(=O)c2[nH]c3ccc(Cl)cc3c2C(C)C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 1/20 0.52
MAPT P10636 3/20 0.50
PTGS2 P35354 2/20 0.50
MEN1 O00255 1/20 0.50
ABCC4 O15439 1/20 0.50
C5 P01031 1/20 0.50
PTGS1 P23219 1/20 0.50
KMT2A Q03164 1/20 0.50
PDE4D Q08499 1/20 0.50
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.46
CNR1 P21554 1/20 0.45
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44

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
SCHEMBL6172928 0.93 HPGD (0.47) MAP2MAPTPTGS2MEN1ABCC4
SCHEMBL6172503 0.91 PTGS2 (0.47) MAP2MAPTPTGS2MEN1ABCC4
SCHEMBL6173199 0.87 MAPT (0.47) MAP2MAPTPTGS2MEN1ABCC4
SCHEMBL6172663 0.87 HPGD (0.47) MAPTPTGS2MEN1ABCC4C5
SCHEMBL6168495 0.83 MAPT (0.45) MAPTPTGS2MEN1ABCC4C5
SCHEMBL6171246 0.83 PTGS2 (0.47) MAP2MAPTPTGS2MEN1ABCC4
SCHEMBL6169472 0.82 PTGS2 (0.48) MAP2MAPTPTGS2MEN1ABCC4
SCHEMBL6171993 0.82 PTGS2 (0.52) MAP2MAPTPTGS2MEN1ABCC4
SCHEMBL6172994 0.81 PTGS2 (0.46) MAPTPTGS2MEN1ABCC4C5
SCHEMBL6171537 0.81 PTGS2 (0.53) MAPTPTGS2MEN1ABCC4C5

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-1045833-B1 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER (US) 2005-11-02 EP claimed
US-6608070-B1 Useful for treatment of medical condition in which prostaglandins are implicated as pathogens NAKAO KAZUNARI (JP) 2003-08-19 US claimed
US-6608070-B1 Useful for treatment of medical condition in which prostaglandins are implicated as pathogens NAKAO KAZUNARI (JP) 2003-08-19 US disclosed