SCHEMBL8385283

SCHEMBL8385283

C=CN[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.53
NPSR1 Q6W5P4 1/20 0.51
NAALAD2 Q9Y3Q0 2/20 0.50
CYP1A2 P05177 1/20 0.50
MMP2 P08253 4/20 0.49
MMP9 P14780 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ADAMTS4 O75173 1/20 0.49
FOLH1 Q04609 1/20 0.49
ACE P12821 3/20 0.48
CPA1 P15085 2/20 0.48
ACE2 Q9BYF1 2/20 0.48

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
SCHEMBL17633984 1.00 MME (0.53) MMENPSR1NAALAD2CYP1A2MMP2
Bromide SCHEMBL9748887 0.98 MME (0.51) MMENPSR1NAALAD2CYP1A2MMP2
Bromide SCHEMBL9748890 0.98 MME (0.51) MMENPSR1NAALAD2CYP1A2MMP2
SCHEMBL31398551 0.86 FOLH1 (0.52) MMENAALAD2L3MBTL1FOLH1ACE
SCHEMBL31568014 0.85 KMT2A (0.49) MMP2
SCHEMBL31568017 0.85 KMT2A (0.49) MMP2
SCHEMBL697900 0.84 EPHX1 (0.61) MMENPSR1NAALAD2CYP1A2MMP2
SCHEMBL697901 0.84 EPHX1 (0.61) MMENPSR1NAALAD2CYP1A2MMP2
Benzene SCHEMBL27636787 0.84 EPHX1 (0.61) MMENPSR1NAALAD2CYP1A2MMP2
SCHEMBL8211678 0.84 EPHX1 (0.61) MMENPSR1NAALAD2CYP1A2MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10208220-B2 Non-Newtonian photo-curable ink composition HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2019-02-19 US disclosed
US-20170260406-A1 NON-NEWTONIAN PHOTO-CURABLE INK COMPOSITION HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2017-09-14 US disclosed
WO-2016048396-A1 NON-NEWTONIAN PHOTO-CURABLE INK COMPOSITION HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2016-03-31 WO disclosed
US-6008386-A ALPHA-AMINO ACIDS BEARING AN OXIRANE RING ON THE ALPHA CARBON IN PLACE OF THE ALPHA-PROTON; IRREVERSIBLE INHIBITORS FOR AMINO ACID DECARBOXYLASES BOARD OF REGENTS UNIVERSITY OF NEBRASKA-LINCOLN (US) 1999-12-28 US disclosed
US-5705660-A Method for the synthesis of α-oxiranyl amino acids BOARD OF REGENTS, UNIVERSITY OF NEBRASKA-LINCOLN 1998-01-06 US disclosed