SCHEMBL8330970

SCHEMBL8330970

CCC(C)(C)c1cccc(Cl)c1O.CCCCCc1cccc(Cl)c1O.CCCCc1cccc(Cl)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.46
PTGS2 P35354 1/20 0.46
TYR P14679 2/20 0.38
BID P55957 3/20 0.38
MCL1 Q07820 3/20 0.38
BCL2L1 Q07817 2/20 0.38
BAK1 Q16611 2/20 0.38
KAT8 Q9H7Z6 2/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
EP300 Q09472 1/20 0.38
KAT2A Q92830 1/20 0.38
KAT2B Q92831 1/20 0.38
KAT5 Q92993 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
EGFR P00533 2/20 0.38
ERBB2 P04626 1/20 0.38
LIPG Q9Y5X9 1/20 0.37
ELANE P08246 2/20 0.36
CTSG P08311 2/20 0.36

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
SCHEMBL20164914 0.99 ALOX5 (0.47) ALOX5PTGS2TYRBIDMCL1
SCHEMBL573935 0.84 ALOX5 (0.60) ALOX5PTGS2TYRBIDMCL1
SCHEMBL574604 0.83 ALOX5 (0.58) ALOX5PTGS2TYRBIDMCL1
SCHEMBL574394 0.83 ALOX5 (0.58) ALOX5PTGS2TYRBIDMCL1
SCHEMBL574233 0.83 ALOX5 (0.53) ALOX5PTGS2TYRBIDMCL1
SCHEMBL574535 0.83 CA2 (0.43) TP53TSHRTDP1HSP90AA1
SCHEMBL2914269 0.77 ALOX5 (0.49) ALOX5PTGS2TYRBIDMCL1
SCHEMBL2914268 0.76 ALOX5 (0.46) ALOX5PTGS2TYRBIDMCL1
SCHEMBL27456560 0.76 ALOX5 (0.46) ALOX5PTGS2TYRBIDMCL1
SCHEMBL8319104 0.75 ALOX5 (0.57) ALOX5PTGS2TYRBIDMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0805672-A4 METHODS, COMPOSITIONS, AND DENTAL DELIVERY SYSTEMS FOR THE PROTECTION OF THE SURFACES OF TEETH HOMOLA ANDREW M (US) 1999-06-30 EP disclosed
EP-0805672-A1 METHODS, COMPOSITIONS, AND DENTAL DELIVERY SYSTEMS FOR THE PROTECTION OF THE SURFACES OF TEETH HOMOLA, Andrew M. (US) 1997-11-12 EP disclosed
WO-1996022078-A1 METHODS, COMPOSITIONS, AND DENTAL DELIVERY SYSTEMS FOR THE PROTECTION OF THE SURFACES OF TEETH HOMOLA ANDREW M (US) 1996-07-25 WO disclosed