SCHEMBL7269277

SCHEMBL7269277

C=CCOC(=O)N[C@@H](CC(C)C)C(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 7/20 0.51
TAS1R1 Q7RTX1 7/20 0.51
BIRC2 Q13490 1/20 0.43
POLB P06746 1/20 0.43
NOS3 P29474 5/20 0.43
NOS1 P29475 5/20 0.43
NOS2 P35228 5/20 0.43
FOLH1 Q04609 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
CASP1 P29466 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL7269272 1.00 TAS1R3 (0.51) TAS1R3TAS1R1BIRC2POLBNOS3
SCHEMBL15107083 0.88 SMN1; SMN2 (0.49) TAS1R3TAS1R1BIRC2SMN1; SMN2CASP1
SCHEMBL2402155 0.87 ALDH1A1 (0.51) FOLH1CASP1ALDH1A1
SCHEMBL8951293 0.87 ALDH1A1 (0.51) FOLH1CASP1ALDH1A1
SCHEMBL15106970 0.84 SMN1; SMN2 (0.41) TAS1R3TAS1R1SMN1; SMN2CASP1ALDH1A1
SCHEMBL28385473 0.83 CASP1 (0.43) SMN1; SMN2CASP1ALDH1A1
SCHEMBL10535408 0.83 CASP1 (0.43) SMN1; SMN2CASP1ALDH1A1
SCHEMBL28387010 0.83 CASP1 (0.43) SMN1; SMN2CASP1ALDH1A1
SCHEMBL9047102 0.82 TAS1R3 (0.52) TAS1R3TAS1R1BIRC2POLBNOS3
SCHEMBL9052342 0.81 TAS1R3 (0.40) TAS1R3TAS1R1BIRC2POLBFOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0839798-A2 Intermediates for preparating non-peptide retroviral protease inhibitors ABBOTT LABORATORIES (US) 1998-05-06 EP disclosed
US-5670675-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1997-09-23 US disclosed
US-5545750-A TREATING HUMAN IMMUNODEFICIENCY VIRUS ABBOTT LABORATORIES (US) 1996-08-13 US disclosed
US-5142056-A Human immunodeficiency virus protease inhibitor ABBOTT LABORATORIES (US) 1992-08-25 US disclosed
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-0402646-A1 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1990-12-19 EP disclosed
US-4977272-A Radiation absorbers THE STANDARD OIL COMPANY (US) 1990-12-11 US 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
US-4868061-A ADDITION POLYMERS, ULTRAVIOLET RADIATION STABILIZERS THE STANDARD OIL COMPANY (US) 1989-09-19 US disclosed