SCHEMBL18730814

SCHEMBL18730814

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 5/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ MAPT P10636 4/20 0.42
▸ LMNA P02545 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ APAF1 O14727 1/20 0.42
▸ MITF O75030 1/20 0.42
▸ PTPN1 P18031 3/20 0.41
▸ GABRP O00591 1/20 0.37
▸ GABRD O14764 1/20 0.37
▸ GABRA1 P14867 1/20 0.37
▸ GABRB1 P18505 1/20 0.37
▸ GABRG2 P18507 1/20 0.37
▸ GABRB3 P28472 1/20 0.37
▸ GABRA5 P31644 1/20 0.37
▸ GABRA3 P34903 1/20 0.37
▸ GABRA2 P47869 1/20 0.37
▸ GABRB2 P47870 1/20 0.37
▸ GABRA4 P48169 1/20 0.37
▸ GABRE P78334 1/20 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
SCHEMBL18691828 0.93 ALDH1A1 (0.59) STAT3ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL18807111 0.89 STAT3 (0.58) STAT3ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL18807113 0.89 STAT3 (0.57) STAT3ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL29448087 0.88 STAT3 (0.48) STAT3ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL18691815 0.88 STAT3 (0.48) STAT3ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL17345519 0.88 STAT3 (0.53) STAT3ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL18730823 0.87 STAT3 (0.56) STAT3ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL18691819 0.87 STAT3 (0.52) STAT3ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL18731231 0.87 STAT3 (0.52) STAT3ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL17345436 0.86 STAT3 (0.51) STAT3ALDH1A1MAPTLMNASMN1; 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
EP-3153508-A1 NOVEL ANTICANCER AGENT Kyoto Pharmaceutical Industries, Ltd. (JP) 2017-04-12 — — EP disclosed
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