SCHEMBL7364919

SCHEMBL7364919

CC1CCCCC1[C@H]1[C@H](C=O)OC(C)(C)N1C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.32
EPHX1 P07099 1/20 0.32
CHRM2 P08172 2/20 0.31
CHRM1 P11229 2/20 0.31
PREP P48147 1/20 0.30
HPGD P15428 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
CHRM3 P20309 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
SCHEMBL7364916 1.00 SPHK1 (0.32) SPHK1EPHX1CHRM2CHRM1PREP
SCHEMBL7280493 0.75 EPHX1 (0.33) SPHK1EPHX1HPGDKDM4E
SCHEMBL7284224 0.75 EPHX1 (0.33) SPHK1EPHX1HPGDKDM4E
SCHEMBL9183699 0.75 EPHX1 (0.33) SPHK1EPHX1HPGDKDM4E
SCHEMBL10378982 0.72 SPHK1 (0.33) SPHK1
SCHEMBL8551293 0.71 SPHK1 (0.34) SPHK1CHRM2CHRM1CHRM3
SCHEMBL7284303 0.71 SPHK1 (0.34) SPHK1
SCHEMBL8554509 0.70 SPHK1 (0.36) SPHK1CHRM2CHRM1PREPCHRM3
SCHEMBL25251925 0.70 SPHK1 (0.34) SPHK1CHRM2CHRM1CHRM3
SCHEMBL12534240 0.70 SPHK1 (0.34) SPHK1CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0578745-A1 PHOSPHORUS CONTAINING COMPOUNDS AS INHIBITORS OF RETROVIRUSES THE UPJOHN COMPANY (US) 1994-01-19 EP disclosed
WO-1992017490-A1 PHOSPHORUS CONTAINING COMPOUNDS AS INHIBITORS OF RETROVIRUSES THE UPJOHN COMPANY (US) 1992-10-15 WO disclosed