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SCHEMBL16069997

SCHEMBL16069997

C/C(=C/C(=O)O)c1ccc(OP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.45
▸ NR4A1 P22736 1/20 0.42
▸ NR4A2 P43354 1/20 0.42
▸ NR4A3 Q92570 1/20 0.42
▸ BTN3A1 O00481 9/20 0.41
▸ STAT6 P42226 3/20 0.36
▸ ELANE P08246 2/20 0.35
▸ TBXAS1 P24557 2/20 0.35
▸ ENO1 P06733 1/20 0.35

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
SCHEMBL16069996 1.00 ALDH1A1 (0.45) ALDH1A1NR4A1NR4A2NR4A3BTN3A1
SCHEMBL16069998 1.00 ALDH1A1 (0.45) ALDH1A1NR4A1NR4A2NR4A3BTN3A1
SCHEMBL10379906 0.82 ALDH1A1 (0.50) ALDH1A1BTN3A1ELANEENO1
SCHEMBL557323 0.80 CA1 (0.49) NR4A1NR4A2NR4A3STAT6TBXAS1
SCHEMBL557324 0.80 CA1 (0.49) NR4A1NR4A2NR4A3STAT6TBXAS1
SCHEMBL557322 0.80 CA1 (0.49) NR4A1NR4A2NR4A3STAT6TBXAS1
SCHEMBL16069985 0.80 NR4A1 (0.51) ALDH1A1NR4A1NR4A2NR4A3BTN3A1
SCHEMBL16069986 0.80 NR4A1 (0.51) ALDH1A1NR4A1NR4A2NR4A3BTN3A1
SCHEMBL16069987 0.80 NR4A1 (0.51) ALDH1A1NR4A1NR4A2NR4A3BTN3A1
SCHEMBL25825776 0.79 ALDH1A1 (0.51) ALDH1A1BTN3A1ELANEENO1

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-8841257-B2 Inhibitors of STAT3 and uses thereof BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-09-23 — — US disclosed