SCHEMBL7745539

SCHEMBL7745539

CCCCCCCC[C@H]1CO[C@H](c2ccc(-c3cc(OCCCCCCC4CCCC4)ccc3C(=O)O)cc2)OC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 6/20 0.48
MCL1 Q07820 1/20 0.40
RARB P10826 4/20 0.40
PRKAB2 O43741 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA2 P54646 1/20 0.40
PRKAA1 Q13131 1/20 0.40
PRKAG3 Q9UGI9 1/20 0.40
PRKAG2 Q9UGJ0 1/20 0.40
PRKAB1 Q9Y478 1/20 0.40
PTGES O14684 1/20 0.40
ALOX5 P09917 1/20 0.40
RARA P10276 1/20 0.39
ALDH2 P05091 1/20 0.38

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
SCHEMBL9189121 0.84 PTPN11 (0.53) PTPN11MCL1RARBRARA
SCHEMBL7750426 0.84 LMNA (0.42) RARBPTGES
SCHEMBL7750435 0.84 LMNA (0.42) RARBPTGES
SCHEMBL7750487 0.84 LMNA (0.42) RARBPTGES
SCHEMBL7750480 0.84 LMNA (0.42) RARBPTGES
SCHEMBL28709974 0.82 PTPN11 (0.51) PTPN11MCL1RARBRARA
SCHEMBL7745535 0.79 NPC1 (0.50)
SCHEMBL8625748 0.79 NPC1 (0.50)
SCHEMBL9120381 0.79 RARB (0.46) RARB
SCHEMBL9121323 0.79 RARB (0.46) RARB

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-0821049-B1 Cyclopentyl compounds ROLIC AG (CH) 2001-01-10 EP disclosed
EP-0821049-A1 Cyclopentyl compounds Rolic AG (CH) 1998-01-28 EP disclosed