SCHEMBL24736660

SCHEMBL24736660

C#CCC(C)(C)OCCC(C)(C)NC(=O)C1C[C@H]2C=C[C@@H]1C2

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.33
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 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
SCHEMBL14420909 0.72 KDM4E (0.53) KDM4ELMNATHRBALDH1A1HPGD
SCHEMBL780067 0.70 KDM4E (0.62) KDM4ELMNATHRBALDH1A1HPGD
SCHEMBL24255193 0.66 LMNA (0.36) KDM4ELMNAALDH1A1HPGDPOLB
SCHEMBL24736620 0.64 KDM4E (0.46) KDM4ELMNATHRBALDH1A1HPGD
SCHEMBL13233317 0.63 KDM4E (0.56) KDM4ELMNATHRBALDH1A1HPGD
SCHEMBL23964280 0.63 KDM4E (0.53) KDM4ELMNATHRBALDH1A1HPGD
SCHEMBL5360974 0.63 KDM4E (0.69) KDM4ELMNATHRBALDH1A1HPGD
SCHEMBL12228739 0.62 ALDH1A1 (0.44) KDM4ELMNATHRBALDH1A1HPGD
SCHEMBL5349832 0.62 KDM4E (0.62) KDM4ELMNATHRBALDH1A1HPGD
SCHEMBL5366429 0.62 KDM4E (0.62) KDM4ELMNATHRBALDH1A1HPGD

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-2022178638-A1 ANTIBODY RECRUITMENT MOLECULES AND METHODS OF TREATING CANCER USING SAME MCMASTER UNIVERSITY (CA) 2022-09-01 WO disclosed