SCHEMBL6172503

SCHEMBL6172503

COc1ccc(C(=O)c2[nH]c3cc(Cl)ccc3c2C(C)C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.47
MAPT P10636 2/20 0.47
PTGS1 P23219 2/20 0.47
MEN1 O00255 1/20 0.47
ABCC4 O15439 1/20 0.47
C5 P01031 1/20 0.47
KMT2A Q03164 1/20 0.47
PDE4D Q08499 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.46
MAP2 P11137 1/20 0.44
MCL1 Q07820 1/20 0.43
MDM2 Q00987 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41

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
SCHEMBL6172663 0.93 HPGD (0.47) PTGS2MAPTPTGS1MEN1ABCC4
SCHEMBL6170865 0.91 MAP2 (0.52) PTGS2MAPTPTGS1MEN1ABCC4
SCHEMBL6171537 0.91 PTGS2 (0.53) PTGS2MAPTPTGS1MEN1ABCC4
SCHEMBL6172994 0.90 PTGS2 (0.46) PTGS2MAPTPTGS1MEN1ABCC4
SCHEMBL7205524 0.89 MDM2 (0.47) PTGS2MAPTPTGS1MEN1ABCC4
SCHEMBL6174354 0.88 MEN1 (0.52) PTGS2MAPTPTGS1MEN1ABCC4
SCHEMBL6172076 0.87 PTGS2 (0.50) PTGS2MAPTPTGS1MEN1ABCC4
SCHEMBL6171863 0.87 PTGS2 (0.50) PTGS2MAPTPTGS1MEN1ABCC4
SCHEMBL6171552 0.87 PTGS2 (0.44) PTGS2MAPTPTGS1MEN1ABCC4
SCHEMBL6168997 0.87 PTGS2 (0.52) PTGS2MAPTPTGS1MEN1ABCC4

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