SCHEMBL7141385

SCHEMBL7141385

C=CCc1cc(C=O)c(CC=C)cc1C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.39
GABRB2 P47870 3/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 2/20 0.37
SRC P12931 1/20 0.33
SRD5A1 P18405 1/20 0.33
LMNA P02545 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
THRB P10828 1/20 0.32
BLM P54132 1/20 0.32
MAPT P10636 4/20 0.32
CYP3A4 P08684 3/20 0.32
CYP1A2 P05177 2/20 0.32
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PTGDR Q13258 1/20 0.32

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
SCHEMBL3263192 0.95 KDM4E (0.37) GABRA1GABRB2KDM4EPOLBSRC
SCHEMBL7164123 0.88 KDM4E (0.33) GABRA1GABRB2KDM4EPOLBSRD5A1
SCHEMBL9723475 0.80 ALDH1A1 (0.55) GABRA1GABRB2KDM4EPOLBLMNA
SCHEMBL3073721 0.79 XDH (0.46) GABRA1GABRB2KDM4EPOLBMEN1
SCHEMBL11298226 0.79 GABRA1 (0.36) GABRA1GABRB2KDM4EPOLBSRD5A1
SCHEMBL7195796 0.79 GABRA1 (0.48) GABRA1GABRB2KDM4EPOLBSRD5A1
SCHEMBL3078081 0.79 XDH (0.46) GABRA1GABRB2KDM4EPOLBMEN1
SCHEMBL21558307 0.78 GABRA1 (0.35) GABRA1GABRB2KDM4EPOLBSRC
SCHEMBL7872295 0.78 ERN1 (0.48) GABRA1GABRB2KDM4EPOLBSRC
SCHEMBL24182447 0.78 TDP1 (0.52) KDM4EPOLBLMNATDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113368077-B Polydopamine-modified nano covalent organic framework and preparation method and application thereof 山东师范大学 2022-06-21 CN disclosed
CN-113368077-A Polydopamine-modified nano covalent organic framework and preparation method and application thereof 山东师范大学 2021-09-10 CN disclosed
WO-2003078498-A1 ELECTRONICALLY CONDUCTIVE PPV COPOLYMERS RISØ NATIONAL LABORATORY (DK) 2003-09-25 WO disclosed
WO-2003078498-A1 ELECTRONICALLY CONDUCTIVE PPV COPOLYMERS RISØ NATIONAL LABORATORY (DK) 2003-09-25 WO disclosed