SCHEMBL7867953

SCHEMBL7867953

COc1ccc(C(N)(C(=O)OCC2c3ccccc3-c3ccccc32)c2cc(C(C)C(=O)O)c(OC)cc2OC)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FABP5 Q01469 2/20 0.39
▸ MDM2 Q00987 1/20 0.37
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ KIF11 P52732 4/20 0.34
▸ AKR1C3 P42330 2/20 0.34
▸ AKR1C2 P52895 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ MDM4 O15151 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MMP2 P08253 1/20 0.33
▸ MMP3 P08254 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ MMP8 P22894 1/20 0.33
▸ MMP12 P39900 1/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ MMP14 P50281 1/20 0.33
▸ MMP16 P51512 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ FABP7 O15540 1/20 0.32

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
SCHEMBL28069714 0.82 FABP5 (0.45) FABP5MDM2KIF11MDM4TP53
SCHEMBL3485726 0.80 FABP5 (0.41) FABP5GAAKMT2AFABP7
SCHEMBL6298097 0.79 FABP5 (0.41) FABP5PTGS1AKR1C3AKR1C2GAA
SCHEMBL8752790 0.79 NPC1 (0.41) FABP5KMT2A
SCHEMBL28191790 0.77 NPC1 (0.39) FABP5GAAKMT2A
SCHEMBL9730060 0.76 MDM2 (0.47) FABP5MDM2MDM4TP53KMT2A
SCHEMBL29965197 0.75 FABP5 (0.47) FABP5MDM2KIF11GAAMDM4
SCHEMBL31194380 0.73 MDM2 (0.40) FABP5MDM2MDM4TP53KMT2A
SCHEMBL29521535 0.73 MEN1 (0.49) TP53KMT2A
SCHEMBL27082137 0.73 NPC1 (0.40) FABP5MDM2GAATP53KMT2A

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
US-6316595-B1 PNA synthesis using a base-labile amino protecting group AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-11-13 — — US disclosed
US-6121418-A PNA synthesis using a base-labile amino protecting group HOECHST AKTIENGESELLSCHAFT (DE) 2000-09-19 — — US disclosed
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