SCHEMBL14403671

SCHEMBL14403671

O=COc1ccc(C(=O)Oc2ccc(Oc3ccc(OC(=O)c4ccc(OC=O)cc4)cc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.48
▸ PARP10 Q53GL7 3/20 0.47
▸ PRSS1 P07477 5/20 0.46
▸ F2 P00734 3/20 0.46
▸ PRSS2 P07478 3/20 0.46
▸ PRSS3 P35030 3/20 0.46
▸ KMT2A Q03164 6/20 0.44
▸ MAPT P10636 4/20 0.44
▸ GFER P55789 1/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ PARP15 Q460N3 1/20 0.44
▸ PARP14 Q460N5 1/20 0.44
▸ PARP16 Q8N5Y8 1/20 0.44
▸ PARP11 Q9NR21 1/20 0.44
▸ PARP4 Q9UKK3 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ PARP3 Q9Y6F1 1/20 0.43
▸ HGFAC Q04756 2/20 0.42
▸ MEN1 O00255 1/20 0.42

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
SCHEMBL14405879 0.94 HSD17B10 (0.53) HSD17B10PARP10PRSS1F2PRSS2
SCHEMBL14390120 0.94 HSD17B10 (0.53) HSD17B10PARP10PRSS1F2PRSS2
SCHEMBL14373620 0.87 HSD17B10 (0.47) HSD17B10PARP10PRSS1F2PRSS2
SCHEMBL17468813 0.87 PARP10 (0.59) HSD17B10PARP10PRSS1KMT2AMAPT
SCHEMBL14339481 0.86 PRSS1 (0.56) HSD17B10PARP10PRSS1KMT2AMAPT
SCHEMBL14339478 0.86 PRSS1 (0.58) HSD17B10PARP10PRSS1F2PRSS2
SCHEMBL18852629 0.86 KMT2A (0.60) PARP10PRSS1KMT2AMAPTGFER
SCHEMBL14369551 0.84 THRB (0.45) HSD17B10PARP10PRSS1F2PRSS2
SCHEMBL11100916 0.82 KMT2A (0.48) HSD17B10PARP10PRSS1F2PRSS2
SCHEMBL11101664 0.82 KMT2A (0.48) HSD17B10PARP10PRSS1F2PRSS2

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-8344175-B2 Liquid crystal compositions, polymer networks derived therefrom and process for making the same E I DU PONT DE NEMOURS AND COMPANY (US) 2013-01-01 — — US disclosed
WO-2007120458-A1 LIQUID CRYSTAL COMPOSITIONS, POLYMER NETWORKS DERIVED THEREFROM AND PROCESS FOR MAKING THE SAME E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-10-25 — — WO disclosed
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