SCHEMBL8977212

SCHEMBL8977212

CCN(C(=O)Cl)C1CCCCC1C

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.34
S1PR3 Q99500 5/20 0.34
S1PR1 P21453 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
TSHR P16473 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL8977206 0.86 ADH1A (0.33) EPHX1S1PR3SMN1; SMN2CA1
Hydrochloric Acid SCHEMBL27340125 0.80 EPHX1 (0.41) EPHX1S1PR3S1PR1L3MBTL1MEN1
SCHEMBL12339137 0.79 L3MBTL1 (0.34) EPHX1S1PR3S1PR1L3MBTL1MEN1
SCHEMBL11506237 0.77 TSHR (0.35) EPHX1S1PR3S1PR1L3MBTL1MEN1
SCHEMBL2926380 0.76 L3MBTL1 (0.46) L3MBTL1MEN1KMT2ATSHRKDM4E
SCHEMBL11308941 0.75 ATM (0.32) L3MBTL1
SCHEMBL6565132 0.75 L3MBTL1 (0.49) L3MBTL1MEN1KMT2ATSHRKDM4E
SCHEMBL8977208 0.75 EPHX1 (0.38) EPHX1S1PR3S1PR1SMN1; SMN2CA1
SCHEMBL8903632 0.75 L3MBTL1 (0.49) L3MBTL1MEN1KMT2ATSHRKDM4E
SCHEMBL8904583 0.75 L3MBTL1 (0.49) L3MBTL1MEN1KMT2ATSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1058491-C Tetrazoline series compound with herbicide activity NIPPON BAYER PESTICIDE CO LTD (JP) 2000-11-15 CN disclosed
CN-1130182-A Tetrazoline series compound with herbicide activity NIPPON BAYER PESTICIDE CO LTD (JP) 1996-09-04 CN disclosed
EP-0708097-A1 Herbicidally active tetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1996-04-24 EP disclosed