SCHEMBL20355756

SCHEMBL20355756

CCOC(=O)CCC(C)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.49
ALOX5 P09917 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PPID Q08752 1/20 0.46
CYP4F2 P78329 2/20 0.45
CYP4A11 Q02928 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
LTA4H P09960 2/20 0.43
ABCB1 P08183 1/20 0.43
PTPN1 P18031 1/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL19007858 0.88 ALDH1A1 (0.53) TDP1LMNAL3MBTL1
SCHEMBL27481292 0.85 HDAC3 (0.47) CYP4F2CYP4A11TSHRLMNA
SCHEMBL3252670 0.85 CYP4F2 (0.45) CYP4F2CYP4A11TDP1TSHRLMNA
SCHEMBL6238563 0.85 PPID (0.48) PPIDCYP4F2CYP4A11LMNAL3MBTL1
SCHEMBL23552019 0.84 ALDH1A1 (0.50) TSHRLMNA
SCHEMBL12446348 0.84 MMP8 (0.51) MMP8SMN1; SMN2PPIDTSHRLMNA
SCHEMBL7933675 0.84 ALDH1A1 (0.50) TSHRLMNA
SCHEMBL27484931 0.83 TSHR (0.44) TSHR
SCHEMBL23710194 0.82 TDP1 (0.50) TDP1TSHRLMNA
SCHEMBL21214616 0.81 ALOX5 (0.47) MMP8ALOX5SMN1; SMN2PPIDCYP4F2

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-2018122775-A1 HETEROARYL COMPOUNDS AND THEIR USE MINORYX THERAPEUTICS S.L. (ES) 2018-07-05 WO disclosed