SCHEMBL20355302

SCHEMBL20355302

C=C(C)COc1ccc(-c2ccc(OCCOC(=O)C(=C)C)c(OCCOC(=O)C(=C)C)c2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.43
▸ KMT2A Q03164 10/20 0.43
▸ MEN1 O00255 7/20 0.43
▸ MAPK1 P28482 5/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ HSD17B10 Q99714 3/20 0.43
▸ TP53 P04637 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ NPSR1 Q6W5P4 7/20 0.39
▸ LMNA P02545 6/20 0.37
▸ HTT P42858 6/20 0.37
▸ POLB P06746 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ TSHR P16473 2/20 0.36
▸ RECQL P46063 1/20 0.36
▸ ALOX12 P18054 2/20 0.36
▸ ALDH1A1 P00352 5/20 0.36

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
SCHEMBL19497715 0.89 CTSA (0.43) MAPTKMT2AMEN1MAPK1KDM4E
SCHEMBL15495199 0.89 POLB (0.38) MAPTKMT2AMEN1MAPK1KDM4E
SCHEMBL19882271 0.87 CTSA (0.41) MAPTHTTPOLBAPEX1TDP1
SCHEMBL21558859 0.87 POLB (0.36) MAPTKMT2AMEN1MAPK1KDM4E
SCHEMBL20275212 0.87 POLB (0.36) KMT2AMEN1HTTPOLBAPEX1
SCHEMBL18494395 0.86 HTT (0.41) MAPTKMT2AMEN1MAPK1KDM4E
SCHEMBL18699599 0.86 RARG (0.38) MAPTKMT2AMEN1MAPK1KDM4E
SCHEMBL20342951 0.86 RARG (0.38) MAPTKMT2AMEN1MAPK1KDM4E
SCHEMBL21884772 0.86 POLB (0.35) HTTPOLBAPEX1TDP1CYP2C19
SCHEMBL29333473 0.86 POLB (0.44) MAPTKMT2AMEN1MAPK1KDM4E

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-20180188586-A1 PROCESS OF PREPARING A LIGHT MODULATION ELEMENT MERCK PATENT GMBH (DE) 2018-07-05 — — US disclosed
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