SCHEMBL25443735

SCHEMBL25443735

CC(C)CCCCCC(=O)N1CCC(c2cccc(C(=O)C(C)C)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 8/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ CHRM5 P08912 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ DRD2 P14416 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ ADAM17 P78536 2/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ TLR9 Q9NR96 1/20 0.38
▸ TLR8 Q9NR97 1/20 0.38
▸ TLR7 Q9NYK1 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
SCHEMBL25443734 1.00 ADAMTS5 (0.42) ADAMTS5ALDH1A1LMNAMAPTHPGD
SCHEMBL25443736 0.99 ADAMTS5 (0.43) ADAMTS5ALDH1A1LMNAMAPTHPGD
SCHEMBL25443737 0.96 ADAMTS5 (0.41) ADAMTS5ALDH1A1LMNAMAPTHPGD
SCHEMBL25443738 0.91 ADAMTS5 (0.43) ADAMTS5MAPK1DRD2DRD3ADAM17
SCHEMBL25444220 0.90 DRD3 (0.48) ADAMTS5ALDH1A1LMNAMAPTHPGD
SCHEMBL25443739 0.84 SLC9A1 (0.46) ALDH1A1DRD3
SCHEMBL25443727 0.81 MAPT (0.52) ADAMTS5ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL25443729 0.81 MAPT (0.52) ADAMTS5ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL25443730 0.79 MAPT (0.53) ADAMTS5ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL25444217 0.77 GNAI3 (0.48) DRD2DRD3NAMPT

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
US-20230146870-A1 METHOD TO QUANTIFY AFFINITY AND SELECTIVITY OF SMALL MOLECULES FOR PROTEINS IN LIVING CELLS OHIO STATE INNOVATION FOUNDATION 2023-05-11 — — US disclosed
US-20230146870-A1 METHOD TO QUANTIFY AFFINITY AND SELECTIVITY OF SMALL MOLECULES FOR PROTEINS IN LIVING CELLS OHIO STATE INNOVATION FOUNDATION 2023-05-11 — — US disclosed
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