SCHEMBL22190072

SCHEMBL22190072

CCC(C)c1cc(CCc2cc(C(C)CC)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.53
CYP2D6 P10635 2/20 0.53
HSPA5 P11021 2/20 0.44
CYP2C9 P11712 5/20 0.41
CYP2C19 P33261 5/20 0.41
HIF1A Q16665 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 4/20 0.40
CYP3A4 P08684 2/20 0.40
CA2 P00918 3/20 0.38
CA1 P00915 2/20 0.38
HSD17B10 Q99714 3/20 0.37
ALDH1A1 P00352 5/20 0.37
POLB P06746 1/20 0.37
TYR P14679 1/20 0.37
GAA P10253 4/20 0.37
ALOX15 P16050 4/20 0.37
PKM P14618 2/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL30337273 0.90 HSPA5 (0.56) CYP1A2CYP2D6HSPA5CYP2C9CYP2C19
SCHEMBL10778785 0.90 HSPA5 (0.56) CYP1A2CYP2D6HSPA5CYP2C9CYP2C19
SCHEMBL144821 0.88 CA2 (0.50) CYP1A2CYP2D6HSPA5CYP2C9CYP2C19
SCHEMBL8973273 0.83 CYP1A2 (0.47) CYP1A2CYP2D6HSPA5CYP2C9CYP2C19
SCHEMBL2951999 0.83 CYP1A2 (0.44) CYP1A2CYP2D6HSPA5CYP2C9CYP2C19
SCHEMBL12626206 0.81 CYP2C9 (0.52) CYP1A2CYP2D6HSPA5CYP2C9CYP2C19
SCHEMBL99080 0.80 CYP2C9 (0.47) CYP1A2CYP2D6HSPA5CYP2C9CYP2C19
SCHEMBL9777449 0.78 CYP2C9 (0.47) CYP1A2CYP2D6HSPA5CYP2C9CYP2C19
SCHEMBL6393256 0.76 CYP1A2 (0.55) CYP1A2CYP2D6HSPA5CYP2C9CYP2C19
Propofol SCHEMBL4048377 0.75 TSHR (0.50) CYP1A2CYP2D6CYP2C9CYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118749016-A Thermoplastic resin composition for hot melt lamination molding, molded body, and method for producing the same 株式会社ADEKA 2024-10-08 CN disclosed
CN-118146890-A Laundry treatment composition comprising polyalkylene carbonate compound 宝洁公司 2024-06-07 CN disclosed
CN-115916935-A Granular laundry detergent additive 宝洁公司 2023-04-04 CN disclosed
CN-113661227-B Flame retardant composition and flame-retardant synthetic resin composition 株式会社ADEKA 2023-02-17 CN disclosed
CN-115667388-A Resin composition and molded article 三菱化学株式会社 2023-01-31 CN disclosed
CN-115291434-A Backlight unit, liquid crystal display device, and wavelength conversion member 富士胶片株式会社 2022-11-04 CN disclosed
CN-112423910-B Articles prepared using curable compositions based on polymerizable ionic species 阿科玛法国公司 2022-09-13 CN disclosed
CN-106716236-B Backlight unit, liquid crystal display device, and wavelength conversion member 富士胶片株式会社 2022-09-09 CN disclosed
CN-114341239-A Liquid crystal polymer film, method for producing same, flexible copper-clad laminate, and flexible printed wiring board 富士胶片株式会社 2022-04-12 CN disclosed
CN-114144163-A Nail coatings based on photocurable compositions 阿科玛法国公司 2022-03-04 CN disclosed
US-20200216646-A1 BLOCK COPOLYMERIC ANTISTATIC AGENT COMPRISING HYDROPHILIC BLOCKS AND HYDROPHOBIC BLOCKS, ANTISTATIC POLYOLEFIN FILM COMPRISING THE SAME AND PREPARATION METHOD THEREOF AICELLO MILIM CHEMICAL CO., LTD. (KR) 2020-07-09 US disclosed
CN-108473760-A Flame-retardant thermoplastic polyurethane resin composition 株式会社艾迪科 2018-08-31 CN disclosed
CN-107408593-A Wiring sheet, structure, and photovoltaic module 三井—杜邦聚合化学株式会社 2017-11-28 CN disclosed
CN-107207806-A Anti-flaming polypropylene composition 株式会社艾迪科 2017-09-26 CN disclosed
CN-107075378-A Fire retardant combination and flame-retarded synthetic resin composition 株式会社艾迪科 2017-08-18 CN disclosed