SCHEMBL6557557

SCHEMBL6557557

C=CC(=O)OC(C)CCCCCCC(C)OC(=O)C=C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 7/20 0.45
▸ ALDH1A1 P00352 6/20 0.43
▸ CYP3A4 P08684 3/20 0.43
▸ FAAH O00519 5/20 0.42
▸ CNR1 P21554 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ HPGD P15428 2/20 0.39
▸ TP53 P04637 3/20 0.35
▸ HIF1A Q16665 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ NAAA Q02083 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ MAPT P10636 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
SCHEMBL19456974 1.00 TSHR (0.45) TSHRALDH1A1CYP3A4FAAHCNR1
SCHEMBL28597918 0.94 TSHR (0.46) TSHRALDH1A1CYP3A4FAAHCNR1
SCHEMBL28049168 0.94 TSHR (0.46) TSHRALDH1A1CYP3A4FAAHCNR1
SCHEMBL29765395 0.93 FAAH (0.53) TSHRALDH1A1FAAHCNR1CNR2
SCHEMBL5072994 0.93 FAAH (0.53) TSHRALDH1A1FAAHCNR1CNR2
SCHEMBL2316134 0.93 FAAH (0.53) TSHRALDH1A1FAAHCNR1CNR2
SCHEMBL2838394 0.93 FAAH (0.53) TSHRALDH1A1FAAHCNR1CNR2
SCHEMBL5146586 0.93 FAAH (0.53) TSHRALDH1A1FAAHCNR1CNR2
SCHEMBL375397 0.93 FAAH (0.53) TSHRALDH1A1FAAHCNR1CNR2
SCHEMBL29765445 0.93 FAAH (0.53) TSHRALDH1A1FAAHCNR1CNR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105814092-B Composition for hydrophilic cured product 三井化学株式会社 2018-09-21 — — CN disclosed
EP-1051454-B1 LIQUID-CRYSTALLINE PHOTOCROSSLINKABLE MIXTURE ROLIC AG (CH) 2004-03-10 — — EP disclosed
US-6548127-B1 Reducing the formation of tilt domains by mixing two non-crosslinked monomers each with two terminal polymerizable groups with anon-liquid-crystalline monomer, and crosslinking; optical or electrooptical devices ROLIC AG (CH) 2003-04-15 — — US disclosed
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