SCHEMBL7796530

SCHEMBL7796530

CC(=O)c1c2c(c(C)c(C)c1OCc1ccccc1)OC(C)(C)CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.41
KCNA2 P16389 1/20 0.41
KCNA5 P22460 1/20 0.41
KCNA1 Q09470 1/20 0.41
KCNA3 P22001 1/20 0.40
PTPN1 P18031 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA9 Q16790 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
SCHEMBL8308667 0.86 PSEN1 (0.45) PSEN1PTPN1MAPK1MAPTTDP1
SCHEMBL5957804 0.82 PSEN1 (0.40) PSEN1KCNA2KCNA5KCNA1PTPN1
SCHEMBL8460875 0.80 PSEN1 (0.47) PSEN1SMN1; SMN2NPC1RAB9A
SCHEMBL7796507 0.79 NFKB1 (0.39) KCNA3CASP3SENP8SENP7SENP6
SCHEMBL6597291 0.79 PSEN1 (0.65) PSEN1
SCHEMBL4592776 0.79 PSEN1 (0.65) PSEN1
SCHEMBL7792475 0.79 HDAC8 (0.44) PTPN1MAPTTDP1
SCHEMBL7999828 0.77 PSEN1 (0.46) PSEN1PTPN1MAPK1MAPTTDP1
SCHEMBL10536937 0.77 PSEN1 (0.48) PSEN1PTPN1MAPTTDP1
SCHEMBL10547297 0.77 PSEN1 (0.48) PSEN1PTPN1MAPTTDP1

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