SCHEMBL6704574

SCHEMBL6704574

CCCCc1cccc([C]=O)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.43
PTGS2 P35354 1/20 0.43
PPARA Q07869 2/20 0.41
ELANE P08246 1/20 0.36
CTSG P08311 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA14 Q9ULX7 1/20 0.35
BID P55957 3/20 0.35
MCL1 Q07820 3/20 0.35
BCL2L1 Q07817 2/20 0.35
BAK1 Q16611 2/20 0.35
KAT8 Q9H7Z6 2/20 0.35
PPARG P37231 1/20 0.35
EP300 Q09472 1/20 0.35
KAT2A Q92830 1/20 0.35
KAT2B Q92831 1/20 0.35
KAT5 Q92993 1/20 0.35
SAE1 Q9UBE0 1/20 0.35

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
SCHEMBL10992127 0.84 GABRA1 (0.41) PTGS2CA12CA1CA2CA14
SCHEMBL16829571 0.82 ALOX5 (0.53) ALOX5PTGS2PPARAELANECTSG
SCHEMBL2119420 0.79 CYP3A4 (0.44) PPARABIDMCL1BCL2L1BAK1
SCHEMBL217965 0.78 BID (0.37) ALOX5PTGS2PPARAELANECTSG
SCHEMBL8860647 0.78 BID (0.37) ALOX5PTGS2PPARABIDMCL1
SCHEMBL4219544 0.76 SMN1; SMN2 (0.40) CA12CA1CA2CA14CYP3A4
SCHEMBL13570066 0.76 ALOX5 (0.60) ALOX5PTGS2PPARAELANECTSG
SCHEMBL6763527 0.76 ALOX5 (0.47) ALOX5PTGS2PPARAELANECTSG
SCHEMBL15475935 0.76 PPARA (0.41) ALOX5PTGS2PPARAELANECTSG
SCHEMBL29057231 0.75 ALOX5 (0.44) ALOX5PTGS2PPARABIDMCL1

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
US-20040096419-A1 Cosmetic preparation containing vitamin a COTY B.V. (NL) 2004-05-20 US disclosed
EP-1119343-A1 PERFUME COMPOSITION HAVING A SUN-BLOCK AND TANNING EFFECT Coty B.V. (NL) 2001-08-01 EP disclosed
EP-1030650-A1 STABLE COSMETIC FORMULATION CONTAINING BUTYLMETHOXYDIBENZOYLMETHANE MERCK PATENT GmbH (DE) 2000-08-30 EP disclosed
WO-2000021500-A1 PERFUME COMPOSITION HAVING A SUN-BLOCK AND TANNING EFFECT COTY B.V. (NL) 2000-04-20 WO disclosed
WO-1999024006-A1 STABLE COSMETIC FORMULATION CONTAINING BUTYLMETHOXYDIBENZOYLMETHANE MERCK PATENT GMBH (DE) 1999-05-20 WO disclosed