SCHEMBL24607196

SCHEMBL24607196

CCC(C)COCCOCCOCCNC(C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ADRB2 P07550 2/20 0.34
ADRB1 P08588 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.30
HTR1B P28222 1/20 0.30

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
SCHEMBL25466829 0.84 KDM4E (0.36) KDM4EPOLBTDP1CYP1A2CYP2D6
SCHEMBL22906464 0.84 KDM4E (0.36) KDM4EPOLBTDP1CYP1A2CYP2D6
SCHEMBL24622158 0.84 KDM4E (0.36) KDM4EPOLBTDP1CYP1A2CYP2D6
SCHEMBL10914222 0.82 KDM4E (0.44) KDM4EPOLBTDP1ADRB2ADRB1
SCHEMBL22930120 0.82 KDM4E (0.44) KDM4EPOLBTDP1ADRB2ADRB1
SCHEMBL13604089 0.82 HSD17B10 (0.40) TDP1HSD17B10
SCHEMBL22837632 0.82 KDM4E (0.44) KDM4EPOLBTDP1ADRB2ADRB1
SCHEMBL18908756 0.82 KDM4E (0.44) KDM4EPOLBTDP1ADRB2ADRB1
SCHEMBL18908660 0.82 KDM4E (0.44) KDM4EPOLBTDP1ADRB2ADRB1
SCHEMBL18908652 0.82 KDM4E (0.44) KDM4EPOLBTDP1ADRB2ADRB1

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-2022147465-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2022-07-07 WO disclosed