SCHEMBL19955121

SCHEMBL19955121

CNC(=O)C(C(C)C)N(C)C(=O)CCCC(C)C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 2/20 0.40
▸ KDM4A O75164 1/20 0.40
▸ PHF8 Q9UPP1 1/20 0.40
▸ KDM2A Q9Y2K7 1/20 0.40
▸ CHRNB2 P17787 1/20 0.39
▸ CHRNB4 P30926 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39

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
SCHEMBL17920111 0.90 CA1 (0.35) KDM4CKDM4APHF8KDM2ACHRNB2
SCHEMBL9915023 0.90 CA1 (0.35) KDM4CKDM4APHF8KDM2ACHRNB2
SCHEMBL1709947 0.90 CA1 (0.35) KDM4CKDM4APHF8KDM2ACHRNB2
SCHEMBL16022889 0.85 ALDH1A1 (0.46) KDM4CKDM4APHF8CHRNB2CHRNB4
SCHEMBL25919388 0.81 GAA (0.31) —
SCHEMBL17920012 0.77 MMP9 (0.32) —
SCHEMBL15187247 0.77 MMP9 (0.32) —
SCHEMBL17920016 0.77 MMP9 (0.32) —
SCHEMBL15803261 0.75 CHRNB2 (0.48) KDM4CKDM4APHF8KDM2ACHRNB2
SCHEMBL20880284 0.72 CA1 (0.32) —

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
EP-2686017-B1 AN OPHTHALMIC COMPOSITION DRUG DELIVERY SOLUTIONS LTD (GB) 2019-07-03 — — EP disclosed
US-9914755-B2 Cyclosporin derivatives wherein the MeBmt sidechain has been cyclized ALLERGAN, INC. (US) 2018-03-13 — — US disclosed
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