SCHEMBL6897869

SCHEMBL6897869

C=CCNC(=O)[C@@H](N)CCC(=O)OCC=C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.41
▸ ALDH1A1 P00352 4/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ GAA P10253 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ PKM P14618 1/20 0.35
▸ EPHX2 P34913 1/20 0.34
▸ CACNA1B Q00975 1/20 0.34
▸ APBA1 Q02410 1/20 0.34
▸ DPP7 Q9UHL4 1/20 0.31
▸ FAAH O00519 1/20 0.31
▸ LTA4H P09960 2/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL176227 0.80 TSHR (0.47) TSHRALDH1A1NPSR1TDP1GAA
SCHEMBL176229 0.80 TSHR (0.47) TSHRALDH1A1NPSR1TDP1GAA
SCHEMBL3968417 0.80 TSHR (0.47) TSHRALDH1A1NPSR1TDP1GAA
SCHEMBL14667033 0.80 TSHR (0.47) TSHRALDH1A1TDP1GAASMN1; SMN2
SCHEMBL666790 0.79 GRIK1 (0.48) TSHRALDH1A1TDP1GAASMN1; SMN2
SCHEMBL6422885 0.79 TSHR (0.46) TSHRALDH1A1NPSR1TDP1GAA
SCHEMBL5141195 0.79 TSHR (0.46) TSHRALDH1A1NPSR1TDP1GAA
SCHEMBL176228 0.79 GRIK1 (0.48) TSHRALDH1A1TDP1GAASMN1; SMN2
SCHEMBL5141836 0.79 KMT2A (0.47) TSHRALDH1A1NPSR1SMN1; SMN2MAPT
SCHEMBL19015751 0.78 SMN1; SMN2 (0.39) TSHRTDP1SMN1; SMN2MAPTCACNA1B

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-6730154-B2 MULTICOLOR LIQUID CRYSTALLINE POLYMERS SAKURA COLOR PRODUCTS CORPORATION (JP) 2004-05-04 — — US disclosed
US-20020033117-A1 Polychromic ink composition depending on viewing angle SAKURA COLOR PRODUCTS CORPORATION 2002-03-21 — — US disclosed
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