SCHEMBL25129088

SCHEMBL25129088

COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(C)C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
CA2 P00918 2/20 0.37
RECQL P46063 1/20 0.34
HTR1B P28222 2/20 0.33
SLC6A4 P31645 1/20 0.33
HTR1A P08908 1/20 0.31
ADRB2 P07550 2/20 0.31
ADRB1 P08588 2/20 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
SCHEMBL12371246 1.00 KDM4E (0.40) KDM4EPOLBTDP1MEN1KMT2A
SCHEMBL18551591 1.00 KDM4E (0.40) KDM4EPOLBTDP1MEN1KMT2A
SCHEMBL19606415 1.00 KDM4E (0.40) KDM4EPOLBTDP1MEN1KMT2A
SCHEMBL21839006 1.00 KDM4E (0.40) KDM4EPOLBTDP1MEN1KMT2A
SCHEMBL22861638 1.00 KDM4E (0.40) KDM4EPOLBTDP1MEN1KMT2A
SCHEMBL19370318 0.91 KDM4E (0.35) KDM4EPOLBTDP1MEN1KMT2A
SCHEMBL22837632 0.90 KDM4E (0.44) KDM4EPOLBTDP1MEN1KMT2A
SCHEMBL22930120 0.90 KDM4E (0.44) KDM4EPOLBTDP1MEN1KMT2A
SCHEMBL18908756 0.90 KDM4E (0.44) KDM4EPOLBTDP1MEN1KMT2A
SCHEMBL18908660 0.90 KDM4E (0.44) KDM4EPOLBTDP1MEN1KMT2A

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-2023040793-A1 ANTI-INFLAMMATORY COMPOUND AND USE THEREOF 映恩生物制药(苏州)有限公司 2023-03-23 WO disclosed