SCHEMBL8668653

SCHEMBL8668653

COc1ccc2[nH]c(C)c(-c3c(CC(=O)OCc4ccc(Cl)cc4)[nH]c4ccccc34)c2c1Cc1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
ALOX5 P09917 4/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37
TUBA1A Q71U36 1/20 0.37
TUBA1C Q9BQE3 1/20 0.37
TUBB6 Q9BUF5 1/20 0.37
TUBB2B Q9BVA1 1/20 0.37
TUBB1 Q9H4B7 1/20 0.37
KDM4E B2RXH2 3/20 0.37

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
SCHEMBL8891252 0.83 HTT (0.43) HTTALOX5LMNAPTPN5PTGDR2
SCHEMBL8668655 0.80 ALOX5 (0.39) HTTALOX5SIRT2SIRT1TUBB4A
SCHEMBL6013487 0.73 AKR1C2 (0.46) KDM4ELMNAPTPN5PTGDR2POLB
SCHEMBL9094851 0.68 PTPN5 (0.40) HTTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8671632 0.68 PTGS1 (0.40) HTTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8668568 0.68 PTGS1 (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7693001 0.67 AKR1C2 (0.49) HTTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8743858 0.67 PTGES (0.40) ALOX5SIRT2SIRT1TUBB4ATUBB
SCHEMBL8675619 0.67 PTGS1 (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5643293 0.66 ALDH1A1 (0.65) HTTKDM4ELMNAPOLBMEN1

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-5750558-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1998-05-12 US disclosed