SCHEMBL40978

SCHEMBL40978

NC(=S)N(C1CCCCC1)C1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 2/20 0.56
ALDH1A1 P00352 2/20 0.42
MGLL Q99685 2/20 0.41
FAAH O00519 1/20 0.41
CTSK P43235 1/20 0.36
NOS2 P35228 2/20 0.36
HSD11B1 P28845 1/20 0.34
LMNA P02545 2/20 0.33
GAA P10253 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
RECQL P46063 1/20 0.32
ADAM17 P78536 1/20 0.32
KMT2A Q03164 1/20 0.32
ADH1A P07327 2/20 0.32
FDPS P14324 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
SCHEMBL3067573 0.80 PHGDH (0.52) PHGDHALDH1A1MGLLFAAHCTSK
SCHEMBL6683780 0.80 PHGDH (0.52) PHGDHALDH1A1MGLLFAAHCTSK
SCHEMBL10751220 0.78 PHGDH (0.50) PHGDHALDH1A1MGLLFAAHHSD11B1
SCHEMBL9871394 0.78 PHGDH (0.61) PHGDHALDH1A1MGLLFAAHHSD11B1
SCHEMBL1426473 0.78 PHGDH (0.61) PHGDHALDH1A1MGLLFAAHHSD11B1
SCHEMBL17913064 0.77 PHGDH (0.43) PHGDHALDH1A1MGLLFAAHCTSK
SCHEMBL10889038 0.77 PHGDH (0.54) PHGDHALDH1A1MGLLFAAHHSD11B1
Zinc Ion SCHEMBL2924615 0.77 PHGDH (0.48) PHGDHALDH1A1MGLLFAAHHSD11B1
SCHEMBL11858979 0.77 PHGDH (0.48) PHGDHALDH1A1MGLLFAAHHSD11B1
SCHEMBL6832485 0.77 PHGDH (0.48) PHGDHALDH1A1MGLLFAAHHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3884921-B1 DENTAL POLYMERIZABLE COMPOSITION G C DENTAL IND CORP (JP) 2025-07-02 EP claimed
EP-3884922-B1 DENTAL POLYMERIZABLE COMPOSITION G C DENTAL IND CORP (JP) 2025-06-18 EP claimed
CN-118255694-A Method for preparing DCC (DCC) by continuous oxidation through micro-channel method 山东汇海医药化工有限公司 2024-06-28 CN claimed
CN-112545900-B Dental curable composition containing transition metal adsorbent 株式会社松风 2024-02-13 CN claimed
CN-113440418-B Dental polymerizable composition 株式会社GC 2023-12-26 CN claimed
EP-3342393-B1 DENTAL CEMENT G C DENTAL IND CORP (JP) 2023-11-29 EP claimed
CN-115991882-A Biological gel and preparation method thereof 连云港东朗新材料科技有限公司 2023-04-21 CN claimed
US-11571368-B2 Dental polymerizable composition GC CORPORATION (JP) 2023-02-07 US claimed
CN-115449136-A Accelerator composition of rubber nanocomposite and preparation method and application thereof 浙江大学 2022-12-09 CN claimed
CN-112375919-B Method for directly recovering gold in thiosulfate system 昆明理工大学 2022-07-08 CN claimed
CN-100434416-C Production technique of N,N'-dicyclo hexylcar bodiimide SHANDONG JINCHENG PHARMACEUTIC (CN) 2008-11-19 CN claimed
CN-101096349-A Production technique of N,N'-dicyclo hexylcar bodiimide SHANDONG JINCHENG PHARMACEUTIC (CN) 2008-01-02 CN claimed
CN-1962631-A N, N'- dicyclohexyl thiourea microwave synthesis method UNIV ZHEJIANG (CN) 2007-05-16 CN claimed
CN-1962630-A N'-dicyclohexyl thiourea preparation method UNIV ZHEJIANG (CN) 2007-05-16 CN claimed
EP-1029015-A4 CORROSION INHIBITOR FOR ALKANOLAMINE UNITS BETZDEARBORN INC (US) 2001-01-03 EP claimed
EP-1029015-A1 CORROSION INHIBITOR FOR ALKANOLAMINE UNITS BetzDearborn Inc (US) 2000-08-23 EP claimed
WO-1999010444-A1 CORROSION INHIBITOR FOR ALKANOLAMINE UNITS BETZDEARBORN INC. (US) 1999-03-04 WO claimed
US-5391666-A A polymethacrylate films containing a infrared absorbers and a thioamide and thiourea derivatives color materials; shading property; shields JUJO PAPER CO., LTD. (JP) 1995-02-21 US claimed
US-4151125-A A 2-MERCAPTOBENZAMIDE ABBOTT LABORATORIES (US) 1979-04-24 US claimed
US-3996505-A Capacitor with liquid polybutene dielectric MCGRAW-EDISON COMPANY (US) 1976-12-07 US claimed