SCHEMBL38728

SCHEMBL38728

CCCCC[CH]c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 2/20 0.44
CNR1 P21554 2/20 0.41
EGFR P00533 1/20 0.41
SOAT2 O75908 1/20 0.40
SOAT1 P35610 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP2A6 P11509 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
LTA4H P09960 1/20 0.38
EPHX2 P34913 3/20 0.38
FAAH O00519 2/20 0.38
HDAC3 O15379 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
DNM1 Q05193 1/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL2125298 0.98 TDP1 (0.47) LMNATDP1CNR1EGFRSOAT2
SCHEMBL302971 0.98 TDP1 (0.47) LMNATDP1CNR1EGFRSOAT2
SCHEMBL302928 0.98 TDP1 (0.47) LMNATDP1CNR1EGFRSOAT2
SCHEMBL5206775 0.98 TDP1 (0.47) LMNATDP1CNR1EGFRSOAT2
SCHEMBL139446 0.98 TDP1 (0.47) LMNATDP1CNR1EGFRSOAT2
SCHEMBL303521 0.98 TDP1 (0.47) LMNATDP1CNR1EGFRSOAT2
SCHEMBL304116 0.98 TDP1 (0.47) LMNATDP1CNR1EGFRSOAT2
SCHEMBL302694 0.98 TDP1 (0.47) LMNATDP1CNR1EGFRSOAT2
SCHEMBL303164 0.98 TDP1 (0.47) LMNATDP1CNR1EGFRSOAT2
SCHEMBL29172634 0.98 LMNA (0.44) LMNATDP1CNR1EGFRSOAT2

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 5393 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118304856-A Modification method of molecular sieve, modified molecular sieve, dehydrator and caprolactam dehydration system 东明旭阳化工有限公司 2024-07-09 CN claimed
US-20240219275-A1 METHODS TO INCREASE SENSITIVITY OF LC/MS ANALYSIS WATERS TECHNOLOGIES CORPORATION (US) 2024-07-04 US claimed
WO-2024145204-A1 MODIFIED QS-21 COMPOSITIONS AND PROCESSES FOR PRODUCING THE SAME AND USES THEREFOR Q-VANT BIOSCIENCES, INC. (US) 2024-07-04 WO claimed
CN-118271223-A Caprolactam refining method and system 北京旭阳科技有限公司 2024-07-02 CN claimed
WO-2024095136-A1 MULTI-COMPONENT SURFACE CHEMISTRY TO ELIMINATE RETENTION LOSS IN REVERSED-PHASE LIQUID CHROMATOGRAPHY WATERS TECHNOLOGIES CORPORATION (US) 2024-05-10 WO claimed
US-20240139713-A1 MULTI-COMPONENT SURFACE CHEMISTRY TO ELIMINATE RETENTION LOSS IN REVERSED-PHASE LIQUID CHROMATOGRAPHY WATERS TECHNOLOGIES CORPORATION (US) 2024-05-02 US claimed
CN-108211422-B Device and method for reducing caprolactam in benzene extraction raffinate 阳煤集团太原化工新材料有限公司 2024-04-26 CN claimed
US-11959842-B2 Methods to increase sensitivity of LC/MS analysis WATERS TECHNOLOGIES CORPORATION (US) 2024-04-16 US claimed
CN-117800911-A Method for purifying caprolactam by solvent crystallization 北京旭阳科技有限公司 2024-04-02 CN claimed
CN-117777075-A Novel butylphthalide impurity, preparation method and application thereof 北京四环制药有限公司 2024-03-29 CN claimed
EP-0332991-A1 Substituted triazoles BAYER AG (DE) 1989-09-20 EP claimed
EP-0298371-A1 Substituted triazolinones BAYER AG (DE) 1989-01-11 EP claimed
EP-0283876-A2 Substituted triazolinones BAYER AG (DE) 1988-09-28 EP claimed
US-4710491-A N-glycosylated carboxylic acid derivatives as agents for combating rheumatic diseases TROPONWERKE GMBH & CO., KG (DE) 1987-12-01 US claimed
US-4554276-A ENZYME INHIBITORS, ANTIULCER AGENTS PFIZER INC. (US) 1985-11-19 US claimed
EP-0045534-B1 USE OF PHENYL-N-HEXYL KETONE AS A PERFUMING AGENT, AND PERFUME COMPOSITIONS CONTAINING THE SAME FIRMENICH SA (CH) 1983-12-21 EP claimed
EP-0062407-A1 Therapeutic compounds containing beta-lactams BEECHAM GROUP PLC (GB) 1982-10-13 EP claimed
EP-0045534-A1 Use of phenyl-n-hexyl ketone as a perfuming agent, and perfume compositions containing the same FIRMENICH SA (CH) 1982-02-10 EP claimed
US-4060522-A ANTICORROSIVE BASF AKTIENGESELLSCHAFT (DT) 1977-11-29 US claimed
US-3946011-A S-Triazine tetracarboxylic acids and dianhydrides CIBA-GEIGY CORPORATION (US) 1976-03-23 US claimed