SCHEMBL1468020

SCHEMBL1468020

Cc1ccc2c(c1)C(C)(C)C(C)C2(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.39
THRB P10828 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
CYP3A4 P08684 2/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2A6 P11509 2/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34
CCR2 P41597 1/20 0.34
ACHE P22303 2/20 0.33
ALDH1A1 P00352 1/20 0.32
TRPA1 O75762 1/20 0.31
PDK2 Q15119 2/20 0.31

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
SCHEMBL29870908 1.00 RXRA (0.39) RXRATHRBTDP1CYP3A4TP53
SCHEMBL5401929 0.86 THRB (0.36) THRBTDP1CYP3A4TP53ALOX15
SCHEMBL5401924 0.86 THRB (0.36) THRBTDP1CYP3A4TP53ALOX15
SCHEMBL5401919 0.86 THRB (0.36) THRBTDP1CYP3A4TP53ALOX15
SCHEMBL8461720 0.81 MEN1 (0.36) THRBTDP1KMT2AMEN1LMNA
SCHEMBL10335841 0.76 ADRA2A (0.35) RXRALMNAAKR1B1
SCHEMBL16318604 0.75 RXRA (0.47) RXRA
SCHEMBL9716941 0.74 KMT2A (0.35) KMT2AMEN1MAPTHTTCCR2
SCHEMBL9211974 0.74 RARG (0.40) THRBTDP1CYP3A4TP53ALOX15
SCHEMBL31352643 0.74 RARG (0.40) THRBTDP1CYP3A4TP53ALOX15

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113234051-B Preparation method of Jiale musk 万华化学集团股份有限公司 2022-09-20 CN claimed
CN-113234051-A Preparation method of Jiale musk 万华化学集团股份有限公司 2021-08-10 CN claimed
EP-0565783-B1 Mixtures of acetylpolyalkylindanes and acetylpolyalkyltetralines PFW AROMA CHEM (NL) 1999-03-24 EP claimed
EP-0561447-B1 Method of acylating 1,2,3,4-tetrahydro-1,1,2,4,4,7-hexamethylnaphthalene (HMT) and compositions comprising acylated HMT QUEST INT (NL) 1997-01-02 EP claimed
US-5430015-A Acylation of tetralins UNILEVER PATENT HOLDINGS, BV (NL) 1995-07-04 US claimed
EP-0565783-A1 Mixtures of acetylpolyalkylindanes and acetylpolyalkyltetralines PFW AROMA CHEMICALS B.V. (NL) 1993-10-20 EP claimed
EP-0561447-A1 Method of acylating 1,2,3,4-tetrahydro-1,1,2,4,4,7-hexamethylnaphthalene (HMT) and compositions comprising acylated HMT QUEST INTERNATIONAL B.V. (NL) 1993-09-22 EP claimed
JP-5140000-A None JP disclosed
JP-6116172-A None JP disclosed
JP-6116172-A None JP disclosed
JP-5124983-A None JP disclosed
JP-6184039-A None JP disclosed
CN-113372205-B Preparation method of musk powder 安徽瑞邦香料有限公司 2023-08-29 CN disclosed
US-4515990-A Preparation of indanes, tetralins and phenyl alcohol in Friedel Craft reaction BUSH BOAKE ALLEN LIMITED (GB) 1985-05-07 US disclosed
EP-0115274-A1 Epoxides of bicyclic compounds, process for their preparation and perfumed and/or flavoured compositions containing them L. GIVAUDAN & CIE Société Anonyme (CH) 1984-08-08 EP disclosed
EP-0089207-A1 Friedel-Craft reactions BUSH BOAKE ALLEN Limited (GB) 1983-09-21 EP disclosed
EP-0040338-A2 Process for the preparation of acylated indanes and tetrahydronaphthalenes INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-11-25 EP disclosed
US-4178311-A Process for the production of compounds useful in perfumery INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-12-11 US disclosed
EP-0004914-A1 Process for the production of compounds useful in perfumery INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-10-31 EP disclosed
US-4162256-A Process for the production of compounds useful in perfumery INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-07-24 US disclosed