SCHEMBL22481807

SCHEMBL22481807

CC(C)CC(C)(C)C(=O)OCC(C)(C)CCN

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.38
TSHR P16473 2/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
NFKB1 P19838 1/20 0.31
ADRA1A P35348 1/20 0.31
RAB9A P51151 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 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
SCHEMBL22562731 0.85 MMP8 (0.42) MMP8TSHRLMNACYP3A4NFKB1
SCHEMBL21734082 0.78 MMP8 (0.44) MMP8CYP4F2CYP4A11
SCHEMBL15521269 0.75 HTT (0.45) MMP8CYP4F2CYP4A11
SCHEMBL28261535 0.72 TSHR (0.42) MMP8TSHRLMNACYP3A4NFKB1
SCHEMBL7857447 0.72 MMP8 (0.59) MMP8TSHRLMNACYP3A4CYP4F2
SCHEMBL29228020 0.72 ALDH1A1 (0.37) TSHRLMNACYP3A4NFKB1ADRA1A
SCHEMBL13788287 0.72 MMP8 (0.44) MMP8TSHR
SCHEMBL16313603 0.72 MMP8 (0.39) MMP8CYP4F2CYP4A11
SCHEMBL24059176 0.71 MMP8 (0.41) MMP8CYP4F2CYP4A11
SCHEMBL13686739 0.71 MMP8 (0.41) MMP8

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-2020197774-A1 STRUCTURALLY-COLORED ARTICLES AND METHODS FOR MAKING AND USING STRUCTURALLY-COLORED ARTICLES NIKE INNOVATE C.V. (US) 2020-10-01 WO disclosed