SCHEMBL20680909

SCHEMBL20680909

C[C@@H](c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.42
GSR P00390 1/20 0.41
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
NPC1 O15118 1/20 0.39
ADAM17 P78536 1/20 0.39
TSHR P16473 1/20 0.38
TAAR1 Q96RJ0 2/20 0.38
DCTPP1 Q9H773 1/20 0.38
PTGS2 P35354 1/20 0.38
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2C P18825 1/20 0.37

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
SCHEMBL264411 1.00 KDM4E (0.45) KDM4EMAPTKMT2ANPSR1TDP1
SCHEMBL188305 0.84 TSHR (0.39) KDM4EMAPTKMT2ANPSR1TDP1
SCHEMBL11207492 0.82 CALM1 (0.43) KDM4EMAPTKMT2AALDH1A1LMNA
SCHEMBL17018447 0.79 ACHE (0.48) MAPTKMT2ANPSR1TDP1ALDH1A1
SCHEMBL4751040 0.77 KDM4E (0.42) KDM4EMAPTKMT2ANPSR1TDP1
SCHEMBL8094320 0.77 KMT2A (0.42) KDM4EMAPTKMT2ANPSR1TDP1
SCHEMBL11743677 0.77 KMT2A (0.50) KDM4EMAPTKMT2ANPSR1TDP1
SCHEMBL4543337 0.77 ESR1 (0.50) MAPTTDP1LMNACYP2D6
SCHEMBL264810 0.77 ADRB2 (0.46) MAPTKMT2ATDP1ALDH1A1LMNA
SCHEMBL12983360 0.77 CYP1A2 (0.39) KDM4EMAPTKMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3658152-A1 FRUIT EXTRACT AND USES THEREOF The University Of Nottingham (GB) 2020-06-03 EP claimed
WO-2019021008-A1 FRUIT EXTRACT AND USES THEREOF THE UNIVERSITY OF NOTTINGHAM (GB) 2019-01-31 WO claimed
EP-4210503-A1 FLORAL WATER FROM COFFEE FLOWERS Société des Produits Nestlé S.A. (CH) 2023-07-19 EP disclosed
EP-4182305-A1 NEMATICIDE COMPOUNDS, COMPOSITIONS, AND METHODS OF THEIR MAKING AND USE Iowa State University Research Foundation, Inc. (US) 2023-05-24 EP disclosed
WO-2022053605-A1 FLORAL WATER FROM COFFEE FLOWERS Société des Produits Nestlé S.A. (CH) 2022-03-17 WO disclosed
WO-2022015821-A1 NEMATICIDE COMPOUNDS, COMPOSITIONS, AND METHODS OF THEIR MAKING AND USE IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2022-01-20 WO disclosed
EP-3658152-A1 FRUIT EXTRACT AND USES THEREOF The University Of Nottingham (GB) 2020-06-03 EP disclosed
WO-2019021008-A1 FRUIT EXTRACT AND USES THEREOF THE UNIVERSITY OF NOTTINGHAM (GB) 2019-01-31 WO disclosed