SCHEMBL20118539

SCHEMBL20118539

C/C=C(\C)C(=O)Nc1ccc(C(=N)NC(=O)OCC(O)CO)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 7/20 0.40
ADRB1 P08588 7/20 0.40
ADRB3 P13945 7/20 0.40
ALDH1A1 P00352 3/20 0.35
F2 P00734 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
TMPRSS6 Q8IU80 1/20 0.34
ST14 Q9Y5Y6 1/20 0.34
CYP19A1 P11511 3/20 0.33
MAPK1 P28482 2/20 0.33
PKM P14618 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL20118453 0.79 RAB9A (0.47) ALDH1A1MAPK1MAPTKMT2AKDM4E
SCHEMBL20118486 0.77 CYP19A1 (0.40) ALDH1A1CYP19A1MAPTSMN1; SMN2HPGD
SCHEMBL24763942 0.76 F2 (0.35) ADRB2ADRB1ADRB3ALDH1A1F2
SCHEMBL24763828 0.75 ALDH1A1 (0.50) ALDH1A1CYP19A1MAPTMEN1KMT2A
SCHEMBL20118645 0.75 CYP19A1 (0.42) CYP19A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL20118551 0.73 MAN2B1 (0.36) ALDH1A1MAPK1PKMHSD17B10
SCHEMBL20118279 0.73 L3MBTL1 (0.45) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL12199548 0.69 RAB9A (0.57) ADRB2ADRB1ADRB3ALDH1A1MAPK1
SCHEMBL20118281 0.69 F2 (0.71) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL24763936 0.68 RAB9A (0.49) ALDH1A1MAPTMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018081513-A1 PRODRUGS OF KALLIKREIN INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2018-05-03 WO disclosed