SCHEMBL2950480

SCHEMBL2950480

COc1ccc(C2CC2C(=O)Nc2ccccc2C(=O)O)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 1/20 0.61
▸ CHEK1 O14757 1/20 0.57
▸ PIM1 P11309 1/20 0.57
▸ MAPK8 P45983 1/20 0.57
▸ CLK4 Q9HAZ1 1/20 0.57
▸ ALDH1A1 P00352 4/20 0.52
▸ MEN1 O00255 4/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ TP53 P04637 2/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ HPGD P15428 2/20 0.52
▸ HIF1A Q16665 2/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ ABCC4 O15439 1/20 0.52

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
SCHEMBL19695945 0.91 LTB4R (0.56) LTB4RCHEK1PIM1MAPK8CLK4
SCHEMBL13002056 0.89 LTB4R (0.55) LTB4RCHEK1PIM1MAPK8CLK4
SCHEMBL9607118 0.88 LTB4R (0.52) LTB4RCHEK1PIM1MAPK8CLK4
SCHEMBL19695909 0.88 LTB4R (0.52) LTB4RCHEK1PIM1MAPK8CLK4
SCHEMBL19695907 0.88 LTB4R (0.52) LTB4RCHEK1PIM1MAPK8CLK4
SCHEMBL9607122 0.88 LTB4R (0.52) LTB4RCHEK1PIM1MAPK8CLK4
SCHEMBL15396460 0.86 LTB4R (0.53) LTB4RCHEK1PIM1MAPK8CLK4
SCHEMBL21024669 0.84 LTB4R (0.57) LTB4RALDH1A1MEN1KMT2AKDM4E
SCHEMBL2947337 0.84 LTB4R (0.48) LTB4RCHEK1PIM1MAPK8CLK4
SCHEMBL9607119 0.84 LTB4R (0.48) LTB4RCHEK1PIM1MAPK8CLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3485883-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION OccuRx Pty Ltd (AU) 2019-05-22 — — EP disclosed
WO-2010144959-A1 ANALOGUES OF ANTI-FIBROTIC AGENTS FIBROTECH THERAPEUTICS PTY LTD (AU) 2010-12-23 — — WO disclosed
WO-2010144959-A1 ANALOGUES OF ANTI-FIBROTIC AGENTS FIBROTECH THERAPEUTICS PTY LTD (AU) 2010-12-23 — — WO disclosed
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