SCHEMBL7542380

SCHEMBL7542380

CC(C)C1COC(=O)N1C(=O)C(OCc1ccccc1)C(O)C1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CC1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IL6ST P40189 1/20 0.40
REN P00797 14/20 0.34
IDH1 O75874 1/20 0.33
KLK7 P49862 1/20 0.32
CTSL P07711 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
SCHEMBL7542372 1.00 IL6ST (0.40) IL6STRENIDH1KLK7CTSL
SCHEMBL7542377 1.00 IL6ST (0.40) IL6STRENIDH1KLK7CTSL
SCHEMBL7358577 0.85 IL6ST (0.38) IL6ST
SCHEMBL7364612 0.80 CSNK2B (0.33) RENKLK7
SCHEMBL7360651 0.80 PPARA (0.33) RENKLK7
SCHEMBL7364607 0.80 CSNK2B (0.33) RENKLK7
SCHEMBL7364609 0.80 CSNK2B (0.33) RENKLK7
SCHEMBL7360653 0.80 PPARA (0.33) RENKLK7
SCHEMBL7360648 0.80 PPARA (0.33) RENKLK7
SCHEMBL7358582 0.79

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