SCHEMBL6172071

SCHEMBL6172071

COc1ccccc1C(=O)c1[nH]c2cc(Cl)ccc2c1C(C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.47
TUBB P07437 2/20 0.47
TUBA3C P0DPH7 2/20 0.47
TUBA1B P68363 2/20 0.47
TUBA4A P68366 2/20 0.47
TUBB4B P68371 2/20 0.47
TUBB3 Q13509 2/20 0.47
TUBB2A Q13885 2/20 0.47
TUBB8 Q3ZCM7 2/20 0.47
TUBA3E Q6PEY2 2/20 0.47
TUBA1A Q71U36 2/20 0.47
TUBA1C Q9BQE3 2/20 0.47
TUBB6 Q9BUF5 2/20 0.47
TUBB2B Q9BVA1 2/20 0.47
TUBB1 Q9H4B7 2/20 0.47
PTGS2 P35354 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ABCC4 O15439 1/20 0.46
C5 P01031 1/20 0.46

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
SCHEMBL6168997 0.83 PTGS2 (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7203324 0.82 PTGS2 (0.45) PTGS2MEN1KMT2AABCC4C5
SCHEMBL6172503 0.81 PTGS2 (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6174354 0.80 MEN1 (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6171394 0.80 PTGS2 (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6171537 0.79 PTGS2 (0.53) PTGS2MEN1KMT2AABCC4C5
SCHEMBL6172482 0.79 PTGS2 (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8141303 0.79 TUBB4A (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7205524 0.79 MDM2 (0.47) PTGS2MEN1KMT2AABCC4C5
SCHEMBL6170510 0.77 POLB (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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