SCHEMBL6744134

SCHEMBL6744134

N#CC=C(C(=O)O)c1cccc(C(=CC#N)C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.44
PDE4B Q07343 3/20 0.44
PDE4C Q08493 3/20 0.44
PDE4D Q08499 3/20 0.44
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
AKR1C1 Q04828 3/20 0.41
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
AKR1C3 P42330 3/20 0.37
AKR1C2 P52895 2/20 0.37
KDM4E B2RXH2 2/20 0.37
PTGS2 P35354 2/20 0.36
UNG P13051 1/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35

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
SCHEMBL437087 0.88 AKR1C1 (0.53) PDE4APDE4BPDE4CPDE4DTDP1
SCHEMBL437088 0.88 AKR1C1 (0.53) PDE4APDE4BPDE4CPDE4DTDP1
SCHEMBL28638891 0.77 CPT1B (0.47) AKR1C1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL20959565 0.74 CES2 (0.50) PDE4APDE4BPDE4CPDE4DATM
SCHEMBL21065541 0.74 SLC16A3 (0.41) PDE4APDE4BPDE4CPDE4DATM
SCHEMBL8461847 0.73 RECQL (0.45) PDE4APDE4BPDE4CPDE4DTDP1
SCHEMBL1275700 0.70 CYP1A2 (0.55) TDP1L3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL1275699 0.70 CYP1A2 (0.55) TDP1L3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL5865765 0.69 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DATM
SCHEMBL5865766 0.69 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DATM

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
US-6696114-B1 POLARIZED ULTRAVIOLET RADIATED HYDROCARBON, (METH)ACRYLATE, OR SILOXANE POLYMER HAYASHI TELEMPU CO., LTD. (JP) 2004-02-24 US disclosed