SCHEMBL3471622

SCHEMBL3471622

C/C(=C\C(C)(C)N)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.33
AKR1C3 P42330 1/20 0.33
GRIK1 P39086 1/20 0.32
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
FFAR3 O14843 1/20 0.30
LCK P06239 1/20 0.30
FYN P06241 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
SCHEMBL5201800 0.84 PTGS1 (0.33) PTGS1AKR1C3GRIK1ALDH1A1TSHR
SCHEMBL5201817 0.84 PTGS1 (0.33) PTGS1AKR1C3GRIK1ALDH1A1TSHR
SCHEMBL6571066 0.78 PTGS1 (0.36) PTGS1AKR1C3GRIK1ALDH1A1TSHR
SCHEMBL6571057 0.78 PTGS1 (0.36) PTGS1AKR1C3GRIK1ALDH1A1TSHR
SCHEMBL22811 0.78 GRIK1 (0.39) PTGS1AKR1C3GRIK1ALDH1A1TSHR
SCHEMBL27166 0.78 GRIK1 (0.39) PTGS1AKR1C3GRIK1ALDH1A1TSHR
SCHEMBL29129689 0.77 ALDH1A1 (0.35) PTGS1AKR1C3ALDH1A1TSHR
SCHEMBL1074949 0.76 ALDH1A1 (0.38) PTGS1AKR1C3ALDH1A1TSHRFFAR3
SCHEMBL10895044 0.76 PTGS1 (0.34) PTGS1AKR1C3ALDH1A1TSHRFFAR3
SCHEMBL6726270 0.76 ALDH1A1 (0.38) PTGS1AKR1C3ALDH1A1TSHRFFAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006110540-A2 ANTIMICROBIAL POLYMER COATINGS AND A METHOD PRODUCING THEM VIA CHEMICAL VAPOUR DEPOSITION MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-10-19 WO claimed
US-20060228966-A1 Chemical vapor deposition of antimicrobial polymer coatings MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-10-12 US claimed
US-20100303877-A1 Controlled Release Hydrogel Films BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-12-02 US disclosed
US-7563734-B2 Chemical vapor deposition of antimicrobial polymer coatings MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-07-21 US disclosed
WO-2006110540-A2 ANTIMICROBIAL POLYMER COATINGS AND A METHOD PRODUCING THEM VIA CHEMICAL VAPOUR DEPOSITION MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-10-19 WO disclosed
US-20060228966-A1 Chemical vapor deposition of antimicrobial polymer coatings MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-10-12 US disclosed