SCHEMBL17345477

SCHEMBL17345477

COC(=O)CC(=O)c1cc2c(o1)C(=O)c1ccccc1C2=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 7/20 0.64
▸ ALDH1A1 P00352 3/20 0.64
▸ 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
▸ TUBB2A Q13885 1/20 0.41
▸ TUBB8 Q3ZCM7 1/20 0.41
▸ TUBA3E Q6PEY2 1/20 0.41
▸ TUBA1A Q71U36 1/20 0.41
▸ TUBA1C Q9BQE3 1/20 0.41
▸ TUBB6 Q9BUF5 1/20 0.41
▸ TUBB2B Q9BVA1 1/20 0.41
▸ TUBB1 Q9H4B7 1/20 0.41
▸ PTPRC P08575 5/20 0.40
▸ PTPN1 P18031 1/20 0.39
▸ APAF1 O14727 2/20 0.39

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
SCHEMBL18691828 0.88 ALDH1A1 (0.59) STAT3ALDH1A1PTPN1APAF1LMNA
SCHEMBL18731215 0.88 STAT3 (0.59) STAT3ALDH1A1PTPRCPTPN1APAF1
SCHEMBL29448088 0.88 STAT3 (0.59) STAT3ALDH1A1PTPRCPTPN1APAF1
SCHEMBL17345498 0.87 STAT3 (0.56) STAT3ALDH1A1PTPN1APAF1LMNA
SCHEMBL18691820 0.86 STAT3 (0.57) STAT3ALDH1A1APAF1LMNAMAPT
SCHEMBL17345553 0.86 STAT3 (0.60) STAT3ALDH1A1APAF1LMNAMAPT
SCHEMBL18807113 0.86 STAT3 (0.57) STAT3ALDH1A1APAF1LMNAMAPT
SCHEMBL18691822 0.85 STAT3 (0.56) STAT3ALDH1A1APAF1LMNAMAPT
SCHEMBL18730823 0.85 STAT3 (0.56) STAT3ALDH1A1APAF1LMNAMAPT
SCHEMBL17345513 0.85 STAT3 (0.59) STAT3ALDH1A1APAF1LMNAMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3153508-A1 NOVEL ANTICANCER AGENT Kyoto Pharmaceutical Industries, Ltd. (JP) 2017-04-12 — — EP disclosed
WO-2015190489-A1 NOVEL ANTICANCER AGENT 京都薬品工業株式会社 2015-12-17 — — WO disclosed
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