SCHEMBL22849031

SCHEMBL22849031

CCOCCCc1cccc(C(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.38
RAB9A P51151 1/20 0.38
GGPS1 O95749 1/20 0.37
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.35
DAO P14920 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
SCHEMBL25884436 0.89 CTSD (0.39) KDM4ETSHRMEN1KMT2AHDAC4
SCHEMBL23806488 0.86 KDM4E (0.36) KDM4ETSHRSMN1; SMN2ALDH1A1HDAC4
SCHEMBL23568943 0.83 HDAC4 (0.41) KDM4ETSHRSMN1; SMN2RAB9ACYP4F2
SCHEMBL14200520 0.82 CTSD (0.43) KDM4ETSHRSMN1; SMN2ALDH1A1MEN1
SCHEMBL27535907 0.81 LPL (0.46) KDM4ESMN1; SMN2RAB9AALDH1A1HDAC4
SCHEMBL10154614 0.80 KDM4E (0.41) KDM4ETSHRSMN1; SMN2ALDH1A1HDAC4
SCHEMBL14234021 0.80 CYP4F2 (0.43) KDM4ETSHRSMN1; SMN2RAB9AGGPS1
SCHEMBL27657598 0.80 LPL (0.53)
SCHEMBL13416681 0.78 KDM4E (0.39) KDM4ETSHRSMN1; SMN2ALDH1A1HDAC4
SCHEMBL2464423 0.78 LPL (0.54)

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-2020264499-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-30 WO disclosed