SCHEMBL2773868

SCHEMBL2773868

C=CCOC(=O)CCCCCCCCC(=O)OC=C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.70
▸ EPHX2 P34913 1/20 0.47
▸ ALDH1A1 P00352 5/20 0.46
▸ GAA P10253 1/20 0.46
▸ LMNA P02545 1/20 0.44
▸ PKM P14618 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ DGKA P23743 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ MAPT P10636 3/20 0.36
▸ ABCC4 O15439 1/20 0.36
▸ CYP3A4 P08684 3/20 0.36
▸ PAM P19021 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CACNA1B Q00975 1/20 0.34
▸ APBA1 Q02410 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ DNM1 Q05193 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL2773470 0.98 TSHR (0.67) TSHREPHX2ALDH1A1GAALMNA
SCHEMBL10834721 0.92 TSHR (0.81) TSHREPHX2ALDH1A1GAALMNA
SCHEMBL632341 0.92 TSHR (0.81) TSHREPHX2ALDH1A1GAALMNA
SCHEMBL5392962 0.92 TSHR (0.81) TSHREPHX2ALDH1A1GAALMNA
SCHEMBL3120781 0.92 TSHR (0.81) TSHREPHX2ALDH1A1GAALMNA
SCHEMBL11795597 0.92 TSHR (0.81) TSHREPHX2ALDH1A1GAALMNA
SCHEMBL180289 0.92 TSHR (0.81) TSHREPHX2ALDH1A1GAALMNA
SCHEMBL28083294 0.90 TSHR (0.84) TSHREPHX2ALDH1A1LMNADGKA
SCHEMBL153651 0.89 TSHR (0.77) TSHREPHX2ALDH1A1GAALMNA
SCHEMBL11131759 0.87 TSHR (0.74) TSHREPHX2ALDH1A1GAALMNA

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
EP-2174966-A1 OPTICAL MATERIAL AND OPHTHALMIC LENS MADE OF THE SAME Menicon Co., Ltd. (JP) 2010-04-14 — — EP disclosed
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