SCHEMBL4884988

SCHEMBL4884988

C=C(C#N)C(=O)OC(CC)OCC(C)OCCCCCC

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
ALDH1A1 P00352 2/20 0.37
LPAR1 Q92633 2/20 0.31
LPAR3 Q9UBY5 2/20 0.31
LMNA P02545 2/20 0.31
HPGD P15428 1/20 0.30
TLR2 O60603 1/20 0.30
ZDHHC20 Q5W0Z9 1/20 0.30

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
SCHEMBL4893685 0.99 TSHR (0.38) TSHRALDH1A1
SCHEMBL4893693 0.90 ALDH1A1 (0.41) TSHRALDH1A1
SCHEMBL4890476 0.84 ALDH1A1 (0.46) TSHRALDH1A1
SCHEMBL4888241 0.84 TSHR (0.45) TSHRALDH1A1HPGD
SCHEMBL4890624 0.82 ALDH1A1 (0.42) TSHRALDH1A1
SCHEMBL26675841 0.80 TSHR (0.44) TSHRALDH1A1LPAR1LPAR3LMNA
SCHEMBL4892558 0.79 ALDH1A1 (0.47) TSHRALDH1A1
SCHEMBL28714427 0.78 TSHR (0.49) TSHRALDH1A1LMNAHPGD
SCHEMBL17142023 0.77 FAAH (0.48) TSHRALDH1A1LMNA
2-Octyl Cyanoacrylate SCHEMBL24588 0.77 FAAH (0.48) TSHRALDH1A1LMNA

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-20080293872-A1 ADHESIVES, SEALANTS AND COATINGS CONTAINING GLASS PARTICLES AS A FILLER HENKEL AG & CO. KGAA (DE) 2008-11-27 US disclosed
US-20080287574-A1 ADHESIVES, SEALANTS AND COATINGS CONTAINING GLASS PARTICLES AS A FILLER HENKEL AG & CO. KGAA (DE) 2008-11-20 US disclosed