SCHEMBL7792567

SCHEMBL7792567

Cc1c(C)c2c(c(CC(=O)Cc3ccc(O)cc3O)c1O)CCC(C)(C)O2

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ PDE4D Q08499 1/20 0.36
▸ MALT1 Q9UDY8 1/20 0.35
▸ TTPA P49638 1/20 0.34
▸ ALOX5 P09917 2/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ CTSB P07858 1/20 0.33
▸ ACHE P22303 3/20 0.33
▸ MAOB P27338 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ BCHE P06276 2/20 0.32
▸ CTSL P07711 1/20 0.32
▸ NR1I2 O75469 1/20 0.32

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
SCHEMBL8059416 0.84 TYR (0.41) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL7792572 0.78 CTSB (0.45) CTSBCTSL
SCHEMBL8060477 0.74 TYR (0.41) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL14283899 0.73 CYP3A4 (0.47) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL14283909 0.73 CYP3A4 (0.47) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL5769978 0.71 CYP3A4 (0.46) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL8385341 0.71 PDE4D (0.40) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL7786640 0.71 PTGS1 (0.39) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL1285320 0.70 CYP3A4 (0.44) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL7786645 0.69 POLB (0.41) CYP3A4KMT2A

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
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