SCHEMBL7792658

SCHEMBL7792658

COc1c(C)c(C)c(OCc2ccccc2)c(C(=O)CCc2ccc(OCc3ccccc3)cc2OCc2ccccc2)c1C

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.49
PPARA Q07869 2/20 0.45
ABCB1 P08183 2/20 0.44
MTNR1A P48039 3/20 0.43
MTNR1B P49286 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
MAOB P27338 1/20 0.41

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
SCHEMBL8060522 0.96 FFAR1 (0.49) FFAR1PPARAABCB1MTNR1AMTNR1B
SCHEMBL7792552 0.95 FFAR1 (0.47) FFAR1PPARAABCB1MTNR1AMTNR1B
SCHEMBL12542088 0.83 FFAR1 (0.51) FFAR1PPARAABCB1MTNR1AMTNR1B
SCHEMBL30066737 0.82 RAB9A (0.61) FFAR1PPARAABCB1MTNR1BL3MBTL1
SCHEMBL12540543 0.80 NPC1 (0.51) FFAR1ABCB1MTNR1AMTNR1BL3MBTL1
SCHEMBL7796507 0.79 NFKB1 (0.39) FFAR1PPARAPPARGPPARDMAOB
SCHEMBL7792657 0.78 L3MBTL1 (0.46) FFAR1PPARAMTNR1AMTNR1BL3MBTL1
SCHEMBL7795041 0.78 ABCB1 (0.45) FFAR1ABCB1MTNR1AMTNR1BHTR1A
SCHEMBL7910887 0.77 FFAR1 (0.64) FFAR1
SCHEMBL7786615 0.77 HDAC8 (0.59) HDAC8TDP1MAOB

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 2 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