SCHEMBL21443733

SCHEMBL21443733

CCC(C)C1NC(=O)C2CCCN2C(=O)CCCCC/C=C/CCNC1=O

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 10/20 0.45
▸ CTSD P07339 1/20 0.39
▸ KRAS P01116 2/20 0.39
▸ HDAC8 Q9BY41 2/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL6724348 0.73 HDAC4 (0.54) HDAC8HDAC4HDAC1HDAC6
SCHEMBL14952774 0.73 HDAC4 (0.54) HDAC8HDAC4HDAC1HDAC6
SCHEMBL10668988 0.73 HDAC4 (0.54) HDAC8HDAC4HDAC1HDAC6
SCHEMBL31105812 0.73 HDAC4 (0.54) HDAC8HDAC4HDAC1HDAC6
SCHEMBL4304535 0.70 PSMB9 (0.41) —
SCHEMBL16258958 0.69 OPRM1 (0.34) HDAC4HDAC1
SCHEMBL12472216 0.67 PSMB9 (0.37) HDAC4HDAC1
SCHEMBL7953237 0.67 PSMB9 (0.35) —
SCHEMBL12276304 0.67 CTSD (0.62) GHSRCTSD
SCHEMBL14876390 0.66 KDM4E (0.47) —

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
EP-2850095-B1 PEPTIDE AND PEPTIDOMIMETIC INHIBITORS RA PHARMACEUTICALS INC (US) 2019-10-09 — — EP disclosed
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