SCHEMBL7567142

SCHEMBL7567142

CC(C)C1CCC(C)(OC(=O)C(=O)c2ccccc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 4/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
XBP1 P17861 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
CES2 O00748 5/20 0.35
CES1 P23141 5/20 0.35
TRPM8 Q7Z2W7 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
OPRM1 P35372 1/20 0.34
GAA P10253 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
HTR3E A5X5Y0 1/20 0.33

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
SCHEMBL31149439 0.80 SCN1A (0.30) OPRL1SCN1ASCN2ASCN3A
SCHEMBL23929398 0.79 CYP19A1 (0.43) MAPTALDH1A1CES2CES1SCN1A
SCHEMBL11692287 0.75 OPRL1 (0.32) OPRL1
SCHEMBL18813005 0.74 LMNA (0.44) LMNAMAPTALDH1A1HPGDTDP1
SCHEMBL5837053 0.74 MAPK1 (0.44) SMN1; SMN2ATMALDH1A1HPGDTDP1
SCHEMBL4063068 0.73 SCN1A (0.30) OPRL1SCN1ASCN2ASCN3A
SCHEMBL2033523 0.73 TSHR (0.34) ALDH1A1
SCHEMBL614026 0.72 SCN1A (0.31) SCN1ASCN2ASCN3A
SCHEMBL118103 0.72 ALOX15 (0.34)
SCHEMBL5142328 0.72

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0746551-B1 OPTICALLY PURE 4-ARYL-2-HYDROXYTETRONIC ACIDS UNIV OHIO STATE RES FOUND (US) 2002-09-04 EP disclosed
EP-0746551-A1 OPTICALLY PURE 4-ARYL-2-HYDROXYTETRONIC ACIDS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1996-12-11 EP disclosed
US-5504108-A ANTIAGGLOMERANTS, ANTIARTHRITIC AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1996-04-02 US disclosed
WO-1995023139-A1 OPTICALLY PURE 4-ARYL-2-HYDROXYTETRONIC ACIDS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1995-08-31 WO disclosed
US-5399721-A Anticoagulant; prepared from aldehyde THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1995-03-21 US disclosed