SCHEMBL12292368

SCHEMBL12292368

CCCCCCCCOC(=O)/C(N)=C\C=C\N1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ NAAA Q02083 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HCAR2 Q8TDS4 1/20 0.36
▸ RAD52 P43351 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ EPHX1 P07099 1/20 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
SCHEMBL19240089 0.88 ALDH1A1 (0.48) TSHRNPSR1MAPTMAPK1L3MBTL1
SCHEMBL14456204 0.86 ALDH1A1 (0.49) TSHRNPSR1MAPTMAPK1L3MBTL1
SCHEMBL20805921 0.85 TSHR (0.45) TSHRNPSR1MAPTMAPK1L3MBTL1
SCHEMBL13609918 0.83 ALDH1A1 (0.56) TSHRNPSR1MAPTMAPK1L3MBTL1
SCHEMBL12260843 0.81 MAPT (0.42) TSHRNPSR1MAPTMAPK1L3MBTL1
SCHEMBL12292355 0.81 MAPT (0.42) TSHRNPSR1MAPTMAPK1L3MBTL1
SCHEMBL9889261 0.81 MAPT (0.42) TSHRNPSR1MAPTMAPK1L3MBTL1
SCHEMBL19240031 0.76 ALDH1A1 (0.64) TSHRNPSR1MAPTMAPK1L3MBTL1
SCHEMBL12292490 0.76 TSHR (0.46) TSHRNPSR1MAPTNAAAALDH1A1
SCHEMBL12292489 0.76 TSHR (0.46) TSHRNPSR1MAPTNAAAALDH1A1

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
WO-2011113719-A2 COMPOSITION COMPRISING A DIBENZOYLMETHANE SCREENING AGENT AND A MEROCYANINE DICYANO OR CYANOACETATE DERIVATIVE; METHOD FOR THE PHOTOSTABILIZATION OF THE DIBENZOYLMETHANE SCREENING AGENT L'OREAL (FR) 2011-09-22 — — WO disclosed
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