SCHEMBL17345462

SCHEMBL17345462

CC(C)CC(N)C(=O)OCCOC(=O)CC(=O)c1cc2c(o1)C(=O)c1ccccc1C2=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 6/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ ELANE P08246 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ APAF1 O14727 1/20 0.35
▸ MITF O75030 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ LARS1 Q9P2J5 3/20 0.34
▸ TAS1R3 Q7RTX0 2/20 0.34
▸ TAS1R1 Q7RTX1 2/20 0.34
▸ ANPEP P15144 1/20 0.34
▸ RNPEP Q9H4A4 1/20 0.34
▸ DNPEP Q9ULA0 1/20 0.34
▸ FLT3 P36888 2/20 0.34
▸ GSK3B P49841 2/20 0.34
▸ KDR P35968 1/20 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
SCHEMBL17345494 1.00 STAT3 (0.48) STAT3ALDH1A1ELANEMAPTAPAF1
SCHEMBL18807117 0.90 STAT3 (0.50) STAT3ALDH1A1MAPTAPAF1MITF
SCHEMBL17345471 0.89 STAT3 (0.52) STAT3ALDH1A1MAPTAPAF1MITF
SCHEMBL17345495 0.89 STAT3 (0.49) STAT3ALDH1A1MAPTAPAF1MITF
SCHEMBL17345490 0.89 STAT3 (0.46) STAT3ALDH1A1MAPTAPAF1MITF
SCHEMBL17345465 0.88 STAT3 (0.50) STAT3ALDH1A1MAPTAPAF1MITF
SCHEMBL18731409 0.87 STAT3 (0.49) STAT3ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL18731408 0.87 STAT3 (0.49) STAT3ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL20305843 0.86 STAT3 (0.48) STAT3ALDH1A1ELANEMAPTAPAF1
SCHEMBL18731248 0.86 STAT3 (0.45) STAT3ALDH1A1MAPTAPAF1MITF

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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