SCHEMBL491492

SCHEMBL491492

S=C(NC1CCCCC1)NC1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 1.00
CYP3A4 P08684 2/20 1.00
TP53 P04637 1/20 1.00
SMN1; SMN2 Q16637 5/20 0.89
LMNA P02545 1/20 0.73
GAA P10253 1/20 0.73
NPC1 O15118 4/20 0.56
RAB9A P51151 3/20 0.56
MAPK1 P28482 1/20 0.56
DUSP3 P51452 1/20 0.56
PTPN5 P54829 1/20 0.56
PTPN11 Q06124 1/20 0.56
EPHX1 P07099 5/20 0.55
MAPT P10636 1/20 0.55
KDM4E B2RXH2 1/20 0.55
EPHX2 P34913 1/20 0.55
HTT P42858 1/20 0.54
PKM P14618 1/20 0.53

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
SCHEMBL11597254 1.00 ALDH1A1 (1.00) ALDH1A1CYP3A4TP53SMN1; SMN2LMNA
SCHEMBL11842060 1.00 ALDH1A1 (1.00) ALDH1A1CYP3A4TP53SMN1; SMN2LMNA
Tetramethylammonium Ion SCHEMBL28296042 0.90 CYP3A4 (0.81) ALDH1A1CYP3A4TP53SMN1; SMN2LMNA
SCHEMBL21560406 0.89 ALDH1A1 (0.80) ALDH1A1CYP3A4TP53SMN1; SMN2LMNA
SCHEMBL19705884 0.85 CYP3A4 (0.73) ALDH1A1CYP3A4TP53SMN1; SMN2LMNA
SCHEMBL19705995 0.85 CYP3A4 (0.73) ALDH1A1CYP3A4TP53SMN1; SMN2LMNA
SCHEMBL19705885 0.85 CYP3A4 (0.73) ALDH1A1CYP3A4TP53SMN1; SMN2LMNA
SCHEMBL8395652 0.85 CYP3A4 (0.73) ALDH1A1CYP3A4TP53SMN1; SMN2LMNA
SCHEMBL10488946 0.85 GAA (1.00) ALDH1A1CYP3A4TP53SMN1; SMN2LMNA
SCHEMBL7928146 0.85 CYP3A4 (0.73) ALDH1A1CYP3A4TP53SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119462457-A Preparation method of DCC impurity isocyanate and tricyclohexylguanidine 山东汇海医药化工有限公司 2025-02-18 CN claimed
CN-113906321-B Polarizing plate, method for manufacturing same, and image display device 住友化学株式会社 2024-10-15 CN 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-115449136-B Accelerator composition of rubber nanocomposite as well as preparation method and application thereof 浙江大学 2024-02-27 CN claimed
CN-112545900-B Dental curable composition containing transition metal adsorbent 株式会社松风 2024-02-13 CN claimed
CN-115073736-B Catalytic method for controllable copolymerization of epoxy and isothiocyanate 华南理工大学 2023-08-22 CN 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
CN-115073736-A Catalytic method for controllable copolymerization of epoxy and isothiocyanate 华南理工大学 2022-09-20 CN claimed
WO-2022188406-A1 CATALYTIC METHOD FOR CONTROLLABLE COPOLYMERIZATION OF EPOXY AND ISOTHIOCYANATE 华南理工大学 2022-09-15 WO claimed
US-8765021-B2 Aqueous treatment composition for inhibiting corrosion and acid attack on metallic surfaces RHODIA OPERATIONS (FR) 2014-07-01 US claimed
EP-1029015-A1 CORROSION INHIBITOR FOR ALKANOLAMINE UNITS BetzDearborn Inc (US) 2000-08-23 EP claimed
US-5885487-A ADDING TO AQUEOUS ALKANOLAMINE SOLUTION AND EFFECTIVE AMOUNT OF UREA, THIOUREA OR DERIVATIVES AS A CORROSION RESISTANT BETZDEARBORN INC. (US) 1999-03-23 US claimed
WO-1999010444-A1 CORROSION INHIBITOR FOR ALKANOLAMINE UNITS BETZDEARBORN INC. (US) 1999-03-04 WO claimed
EP-0660823-B1 N-CYANO-N'-PYRIDYLGUANIDINES AS SEROTONIN ANTAGONISTS LEO PHARM PROD LTD (DK) 1996-08-14 EP claimed
US-5236633-A Blend of transparent polymer, thiourea and copper compounds JUJO PAPER CO., LTD. (JP) 1993-08-17 US claimed
EP-0069150-A1 CLEANING COMPOSITION CHEMICAL SCIENCES, INC. (US) 1983-01-12 EP claimed
WO-1982002379-A1 CLEANING COMPOSITION CHEMICAL SCIENCES INC (US) 1982-07-22 WO claimed
US-4264710-A AN ETHYLENICALLY UNSATURATED COMPOUND, AND A PHOTOPOLYMERIZATION INIATOR FUJI PHOTO FILM CO., LTD. (JP) 1981-04-28 US claimed
US-3979311-A MIXTURE OF AN ALKYNYL CYCLOALKANOL AND AN N,N'-DICYCLOALKYL-THIOUREA UNIVERSAL OIL PRODUCTS COMPANY (US) 1976-09-07 US claimed
US-3969260-A ALKYNYL CYCLOALKANOL, N,N'-DICYCLOALKYL THIOUREA, POLYAMINOMETHYLENEPHOSPHONATE UNIVERSAL OIL PRODUCTS COMPANY (US) 1976-07-13 US claimed