SCHEMBL24029656

SCHEMBL24029656

CCC(C)C(=O)NCCCCCNC(=O)COC(C)C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.44
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CASP2 P42575 1/20 0.39
ALDH1A1 P00352 4/20 0.38
ALDH1A2 O94788 1/20 0.38
ALDH2 P05091 1/20 0.38
ALDH1A3 P47895 1/20 0.38
MMP8 P22894 1/20 0.37
NAAA Q02083 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 2/20 0.36
EPHX1 P07099 1/20 0.36
RRM1 P23921 1/20 0.36
TSHR P16473 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
SCHEMBL23568385 0.95 FAAH (0.38) FAAHKMT2AMEN1ALDH1A1LMNA
SCHEMBL25697264 0.92 EPHX2 (0.43) FAAHKMT2AMEN1LMNATSHR
SCHEMBL24508251 0.92 EPHX2 (0.43) FAAHKMT2AMEN1LMNATSHR
SCHEMBL24673243 0.89 FAAH (0.43) FAAHKMT2AMEN1CASP2ALDH1A1
SCHEMBL21106814 0.85 FAAH (0.44) FAAHKMT2AMEN1CASP2ALDH1A1
SCHEMBL21107462 0.85 FAAH (0.44) FAAHKMT2AMEN1CASP2ALDH1A1
SCHEMBL21106815 0.85 FAAH (0.44) FAAHKMT2AMEN1CASP2ALDH1A1
SCHEMBL22856479 0.85 KMT2A (0.50) KMT2AMEN1ALDH1A1LMNAGAA
SCHEMBL23695885 0.85 KMT2A (0.50) KMT2AMEN1ALDH1A1LMNAGAA
SCHEMBL22861669 0.83 KMT2A (0.61) FAAHKMT2AMEN1CASP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023278759-A1 MK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-01-05 WO disclosed
WO-2021231778-A1 CORONAVIRUS PROTEASE DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-11-18 WO disclosed