SCHEMBL7394682

SCHEMBL7394682

C[C@@H]1C[C@H](C2OC(C)(C)N(C(=O)OC(C)(C)C)C2CC2CCCCC2)O[C@H]1O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.32
HPGD P15428 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
SPHK1 Q9NYA1 1/20 0.31
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 1/20 0.30
RECQL P46063 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
SCHEMBL7394683 1.00 EPHX1 (0.32) EPHX1HPGDCHRM2CHRM1CHRM3
SCHEMBL7394681 1.00 EPHX1 (0.32) EPHX1HPGDCHRM2CHRM1CHRM3
SCHEMBL10528950 0.86 SPHK1 (0.35) EPHX1HPGDSPHK1RECQL
SCHEMBL7483186 0.85 SPHK1 (0.32) SPHK1
SCHEMBL7292716 0.85 SPHK1 (0.32) SPHK1
SCHEMBL7483173 0.85 SPHK1 (0.32) SPHK1
SCHEMBL7293176 0.83 ACHE (0.32) CHRM2CHRM1
SCHEMBL7293170 0.83 ACHE (0.32) CHRM2CHRM1
SCHEMBL7293173 0.83 ACHE (0.32) CHRM2CHRM1
SCHEMBL9556791 0.82 SPHK1 (0.34) EPHX1HPGDSPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0415981-A4 RETROVIRAL PROTEASE INHIBITORS 1991-10-09 EP disclosed
EP-0415981-A1 RETROVIRAL PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1991-03-13 EP disclosed
EP-0342541-A2 Retroviral protease inhibitors ABBOTT LABORATORIES (US) 1989-11-23 EP disclosed
WO-1989010752-A1 RETROVIRAL PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1989-11-16 WO disclosed