SCHEMBL27748593

SCHEMBL27748593

O=[P](c1ccccc1)C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP3A4 P08684 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
EPHX2 P34913 3/20 0.34
ALDH1A1 P00352 3/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
EPHX1 P07099 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ROCK2 O75116 1/20 0.33
SLC18A3 Q16572 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
IDO1 P14902 1/20 0.32
METAP2 P50579 2/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
METAP1 P53582 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
SCHEMBL54719 0.77 ROCK2 (0.44) HPGDNPSR1CYP3A4TDP1EPHX2
SCHEMBL301035 0.77 CYP3A4 (0.38) HPGDNPSR1CYP3A4TDP1EPHX2
SCHEMBL301161 0.77 ROCK2 (0.44) HPGDNPSR1CYP3A4TDP1EPHX2
SCHEMBL34871 0.77 CYP3A4 (0.38) HPGDNPSR1CYP3A4TDP1EPHX2
SCHEMBL13456274 0.77 CYP3A4 (0.38) HPGDNPSR1CYP3A4TDP1EPHX2
SCHEMBL301129 0.77 ROCK2 (0.44) HPGDNPSR1CYP3A4TDP1EPHX2
SCHEMBL301069 0.77 CYP3A4 (0.38) HPGDNPSR1CYP3A4TDP1EPHX2
SCHEMBL14603971 0.76 CYP3A4 (0.36) HPGDNPSR1CYP3A4TDP1EPHX2
SCHEMBL9634685 0.76 CYP3A4 (0.36) HPGDNPSR1CYP3A4TDP1EPHX2
SCHEMBL2271458 0.76 ROCK2 (0.43) HPGDNPSR1CYP3A4TDP1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120025371-A Preparation method of phosphorus-containing nitrogen heterocyclic compound 河北科技大学 2025-05-23 CN disclosed
CN-116731070-A Asymmetric catalytic synthesis method and application of chiral secondary phosphorus oxide and chiral aza-arene substituted tertiary phosphorus oxide 河南工业大学 2023-09-12 CN disclosed
CN-103259044-B Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEMICAL CORP. (JP) 2016-02-10 CN disclosed
CN-102097654-B Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEMICAL CORP. (JP) 2014-10-01 CN disclosed
CN-103259044-A Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEM CORP 2013-08-21 CN disclosed
CN-101432923-B Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEM CORP 2012-04-18 CN disclosed
CN-102097654-A Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEM CORP 2011-06-15 CN disclosed
CN-101432923-A Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEM CORP (JP) 2009-05-13 CN disclosed