SCHEMBL7796612

SCHEMBL7796612

COc1c(C)c(C)c(OCc2ccccc2)c(C)c1C=CCc1ccc(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 6/20 0.41
PTGER2 P43116 6/20 0.41
PTGER3 P43115 5/20 0.41
PTGER1 P34995 3/20 0.41
HDAC8 Q9BY41 1/20 0.41
MAOB P27338 2/20 0.40
PDCD1 Q15116 2/20 0.39
CD274 Q9NZQ7 2/20 0.39
ALOX5 P09917 1/20 0.39
ABCB1 P08183 1/20 0.38
PPARA Q07869 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
SCHEMBL7796609 1.00 PTGER4 (0.41) PTGER4PTGER2PTGER3PTGER1HDAC8
SCHEMBL7786631 0.96 PTGER4 (0.41) PTGER4PTGER2PTGER3PTGER1HDAC8
SCHEMBL7786633 0.96 PTGER4 (0.41) PTGER4PTGER2PTGER3PTGER1HDAC8
SCHEMBL7786628 0.95 PTGER4 (0.43) PTGER4PTGER2PTGER3PTGER1HDAC8
SCHEMBL7786630 0.95 PTGER4 (0.43) PTGER4PTGER2PTGER3PTGER1HDAC8
SCHEMBL7792948 0.79 APP (0.53) HDAC8MAOBALOX5
SCHEMBL7795041 0.77 ABCB1 (0.45) PTGER4PTGER2PTGER3MAOBPDCD1
SCHEMBL28481875 0.76 ALOX5 (0.47) MAOBALOX5
SCHEMBL7786613 0.75 APP (0.53) HDAC8MAOBALOX5
SCHEMBL8060518 0.74 L3MBTL1 (0.46) HDAC8MAOBPDCD1CD274PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0909267-B1 NOVEL 1,3-DIPHENYLPROPANE DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST TYROSINASE AND PROCESS FOR PREPARATION THEREOF LG CHEMICAL LTD (KR) 2001-11-21 EP disclosed
US-6093836-A INHIBITORY ACTIVITY AGAINT MELANIN BIOSYNTHESIS; WHITENING SUBSTANCES FOR MEDICAMENTS, COSMETICS LG CHEMICAL LTD. (KR) 2000-07-25 US disclosed
EP-0909267-A1 NOVEL 1,3-DIPHENYLPROPANE DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST TYROSINASE AND PROCESS FOR PREPARATION THEREOF LG CHEMICAL LIMITED (KR) 1999-04-21 EP disclosed
WO-1998039279-A1 NOVEL 1,3-DIPHENYLPROPANE DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST TYROSINASE AND PROCESS FOR PREPARATION THEREOF LG CHEMICAL LTD. (KR) 1998-09-11 WO disclosed