SCHEMBL9418255

SCHEMBL9418255

C=C(C)C(=O)N[C@@H](Cc1ccc(OC(=O)C(=C)C)cc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.48
ITGB3 P05106 3/20 0.47
ITGA2B P08514 3/20 0.47
ELANE P08246 1/20 0.46
PPARG P37231 3/20 0.46
KDM4A O75164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
KMT2A Q03164 1/20 0.44
FPR2 P25090 1/20 0.43
MME P08473 2/20 0.43
ACE P12821 2/20 0.43
CPA1 P15085 2/20 0.43
ACE2 Q9BYF1 2/20 0.43
ITGB1 P05556 2/20 0.43
ITGA4 P13612 2/20 0.43
ITGB7 P26010 2/20 0.43
CA2 P00918 1/20 0.42
LMNA P02545 1/20 0.41
FOLH1 Q04609 1/20 0.41

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
SCHEMBL1015911 0.87 ITGB3 (0.48) TGFBR1ITGB3ITGA2BPPARGKDM4A
SCHEMBL15947342 0.84 ITGB3 (0.53) TGFBR1ITGB3ITGA2BPPARGKDM4A
SCHEMBL346687 0.82 FOLH1 (0.59) TGFBR1MMEACECPA1ACE2
SCHEMBL8021425 0.82 FOLH1 (0.59) TGFBR1MMEACECPA1ACE2
SCHEMBL2258793 0.82 TGFBR1 (0.57) TGFBR1FPR2MMEACECPA1
SCHEMBL346221 0.82 TGFBR1 (0.57) TGFBR1FPR2MMEACECPA1
SCHEMBL345967 0.79 SLC7A5 (0.54) ITGB3ITGA2BELANEPPARGKDM4E
SCHEMBL18812870 0.79 SLC7A5 (0.54) ITGB3ITGA2BELANEPPARGKDM4E
SCHEMBL1018596 0.79 SLC7A5 (0.49) ITGB3ITGA2BPPARGKDM4AKDM4E
SCHEMBL29259136 0.77 ELANE (0.40) ITGB3ITGA2BELANEPPARGKMT2A

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
EP-0310919-B1 Adhesive composition for biomaterial use DAIKIN IND LTD (JP) 1994-01-05 EP disclosed
US-5061184-A Fluorine-containing acrylic esters; dentistry DAIKIN INDUSTRIES, LTD. (JP) 1991-10-29 US disclosed
EP-0310919-A2 Adhesive composition for biomaterial use DAIKIN INDUSTRIES, LIMITED (JP) 1989-04-12 EP disclosed