SCHEMBL8668655

SCHEMBL8668655

COc1c(Cc2ccccc2)cc2[nH]c(C)c(-c3c(CC(=O)OCc4ccc(Cl)cc4)[nH]c4ccccc34)c2c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.39
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.35
PTGES O14684 1/20 0.34
ALDH1A1 P00352 3/20 0.34
TUBB4A P04350 2/20 0.34
TUBB P07437 2/20 0.34
TUBA3C P0DPH7 2/20 0.34
TUBA1B P68363 2/20 0.34
TUBA4A P68366 2/20 0.34
TUBB4B P68371 2/20 0.34
TUBB3 Q13509 2/20 0.34
TUBB2A Q13885 2/20 0.34
TUBB8 Q3ZCM7 2/20 0.34
TUBA3E Q6PEY2 2/20 0.34
TUBA1A Q71U36 2/20 0.34
TUBA1C Q9BQE3 2/20 0.34
TUBB6 Q9BUF5 2/20 0.34

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
SCHEMBL8668653 0.80 HTT (0.40) ALOX5SIRT2SIRT1KDM4ELMNA
SCHEMBL5810875 0.72 ALDH1A1 (0.41) ALOX5LMNAALDH1A1MEN1KMT2A
SCHEMBL28819182 0.68 ALDH1A1 (0.54) ALOX5KDM4ELMNAALDH1A1TUBB4A
SCHEMBL5808515 0.68 PTGS2 (0.39) ALOX5ALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL5643293 0.66 ALDH1A1 (0.65) KDM4ELMNAALDH1A1SMN1; SMN2HSD17B10
SCHEMBL8675620 0.66 TUBB4A (0.36) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8646870 0.64 HSP90AA1 (0.34) LMNAALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL8891252 0.64 HTT (0.43) ALOX5LMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL11001722 0.63 ALDH1A1 (0.79) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL5809994 0.63 L3MBTL1 (0.44) ALOX5KDM4ELMNAALDH1A1SMN1; SMN2

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