SCHEMBL62945

SCHEMBL62945

[C]1CCCCc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BCL2L1 Q07817 1/20 0.34
BAD Q92934 1/20 0.34
CYP2A6 P11509 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
KIF11 P52732 1/20 0.33
KDM1A O60341 1/20 0.32
MAPT P10636 2/20 0.31
HTR2C P28335 1/20 0.31
NOS3 P29474 1/20 0.31
MIF P14174 1/20 0.30

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
SCHEMBL9421049 1.00 TSHR (0.52) TSHRHPGDL3MBTL1BCL2L1BAD
SCHEMBL177122 0.98 TSHR (0.50) TSHRHPGDL3MBTL1BCL2L1BAD
SCHEMBL286696 0.93 TSHR (0.48) TSHRHPGDL3MBTL1BCL2L1BAD
SCHEMBL3884 0.93 TSHR (0.48) TSHRHPGDL3MBTL1BCL2L1BAD
SCHEMBL1374665 0.83
SCHEMBL21267 0.83
SCHEMBL1098772 0.80 TSHR (0.50) TSHRHPGDL3MBTL1BCL2L1BAD
SCHEMBL16684913 0.78 TSHR (0.48) TSHRHPGDL3MBTL1BCL2L1BAD
Fluoride SCHEMBL31607698 0.78 TSHR (0.48) TSHRHPGDL3MBTL1BCL2L1BAD
SCHEMBL2952083 0.77 MAOA (0.44) TSHRHPGDL3MBTL1CYP2A6MAOA

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

Appears in 4580 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6432995-B1 None US claimed
US-20240156778-A1 THIOPHENE DERIVATIVES FOR USE IN TREATING PORTAL INFLAMMATION AND FIBROSIS ENYO PHARMA (FR) 2024-05-16 US claimed
CN-117903189-A Carbazole compound and organic electroluminescent device thereof 长春海谱润斯科技股份有限公司 2024-04-19 CN claimed
CN-117750798-A Organic electroluminescent device 长春海谱润斯科技股份有限公司 2024-03-22 CN claimed
CN-117651433-A Organic electroluminescent device 长春海谱润斯科技股份有限公司 2024-03-05 CN claimed
CN-117642045-A Organic electroluminescent device 长春海谱润斯科技股份有限公司 2024-03-01 CN claimed
CN-117603249-A Triarylamine compound and organic electroluminescent device thereof 长春海谱润斯科技股份有限公司 2024-02-27 CN claimed
CN-117384120-A Fluorene-containing triarylamine compound and organic electroluminescent device thereof 长春海谱润斯科技股份有限公司 2024-01-12 CN claimed
CN-117377338-A Organic electroluminescent device 长春海谱润斯科技股份有限公司 2024-01-09 CN claimed
CN-117126190-A Triarylamine derivative and organic electroluminescent device thereof 长春海谱润斯科技股份有限公司 2023-11-28 CN claimed
EP-0231078-B1 PROSTAGLANDINS NAT RES DEV (GB) 1990-04-25 EP claimed
US-4898876-A Benzoylpiperazine esters and a process for their production KOWA CO., LTD. (JP) 1990-02-06 US claimed
US-4878940-A SELECTIVE, FOR USE WITH CROPS JANSSEN PHARMACEUTICA N.V. (BE) 1989-11-07 US claimed
EP-0335375-A2 Antihyperlipidemic and antiatherosclerotic compounds and compositions WARNER-LAMBERT COMPANY (US) 1989-10-04 EP claimed
EP-0314852-A2 Process for the preparation of 1-substituted imidazole-carbonic acid and derivatives CIBA-GEIGY AG (CH) 1989-05-10 EP claimed
WO-1989003212-A1 3,5-DIHYDROXY-6,8-NONADIENOIC ACIDS AND DERIVATIVES AS HYPOCHOLESTEROLEMIC AGENTS PFIZER INC. (US) 1989-04-20 WO claimed
EP-0312269-A2 3,5-Dihydroxy-6,8-nonadienoic acids and derivatives as hypocholesterolemic agents PFIZER INC. (US) 1989-04-19 EP claimed
EP-0289066-A1 1,5-Substituted 1H-imidazoles JANSSEN PHARMACEUTICA N.V. (BE) 1988-11-02 EP claimed
EP-0277384-A2 1H-imidazole-5-carboxylic acid derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-08-10 EP claimed
EP-0207563-A2 A method for controlling weeds JANSSEN PHARMACEUTICA N.V. (BE) 1987-01-07 EP claimed