SCHEMBL7878801

SCHEMBL7878801

c1cc([C]2CCCCC2)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
LMNA P02545 1/20 0.50
MAPK14 Q16539 1/20 0.43
NOTUM Q6P988 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
GAA P10253 2/20 0.38
PKN1 Q16512 1/20 0.38
PKN2 Q16513 1/20 0.38
DDAH1 O94760 1/20 0.38
NOS1 P29475 1/20 0.38
TP53 P04637 1/20 0.37
PKM P14618 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP2C19 P33261 3/20 0.36
CYP1A2 P05177 2/20 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
SCHEMBL1515151 0.92 MAPT (0.53) MAPTLMNAMAPK14NOTUMSIGMAR1
SCHEMBL1515252 0.86
SCHEMBL139458 0.72 ALDH1A1 (0.44) MAPTLMNAKDM4EALDH1A1HPGD
SCHEMBL447031 0.72 ALDH1A1 (0.44) MAPTLMNAKDM4EALDH1A1HPGD
SCHEMBL448510 0.72 ALDH1A1 (0.44) MAPTLMNAKDM4EALDH1A1HPGD
SCHEMBL9481812 0.72 CYP2A6 (0.58) MAPTLMNATP53NISCHKDM4E
Hydrochloric Acid SCHEMBL27482920 0.70 CHRNB4 (0.43) MAPTLMNAGAAKDM4EALDH1A1
Biphenyl SCHEMBL29268822 0.70 ALDH1A1 (0.50) MAPTLMNANOTUMKDM4EALDH1A1
SCHEMBL9728 0.69 MAPT (1.00) MAPTLMNANOTUMGAADDAH1
SCHEMBL42579 0.69 ALDH1A1 (0.47) MAPTSIGMAR1ALDH1A1HPGDCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111377818-A (meth) acrylate compound, polymer, resist material, and method for producing (meth) acrylate compound 捷恩智株式会社 2020-07-07 CN claimed
US-5849764-A Antagonists of gonadotropin releasing hormone MERCK & CO., INC. (US) 1998-12-15 US claimed
CN-111377818-A (meth) acrylate compound, polymer, resist material, and method for producing (meth) acrylate compound 捷恩智株式会社 2020-07-07 CN disclosed
WO-2001056358-A2 ENHANCED PROPERTIED PESTICIDES ROHM AND HAAS COMPANY (US) 2001-08-09 WO disclosed
US-5246914-A Fungicides and plant growth regulators BASF AKTIENGESELLSCHAFT (DE) 1993-09-21 US disclosed