SCHEMBL7279380

SCHEMBL7279380

COC(=O)C(CC(C)C)NC(=O)OCCCO

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.47
TAS1R3 Q7RTX0 9/20 0.47
TAS1R1 Q7RTX1 9/20 0.47
BIRC2 Q13490 3/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MME P08473 1/20 0.42
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 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
SCHEMBL7279383 1.00 FOLH1 (0.47) FOLH1TAS1R3TAS1R1BIRC2POLB
SCHEMBL6444952 0.87 ALDH1A1 (0.53) FOLH1MME
SCHEMBL6444948 0.87 ALDH1A1 (0.53) FOLH1MME
SCHEMBL30174611 0.85 BIRC2 (0.54) FOLH1TAS1R3TAS1R1BIRC2
SCHEMBL7751184 0.82 TAS1R3 (0.54) FOLH1TAS1R3TAS1R1BIRC2POLB
SCHEMBL11434953 0.82 TAS1R3 (0.54) FOLH1TAS1R3TAS1R1BIRC2POLB
SCHEMBL14958646 0.80 FOLH1 (0.42) FOLH1TAS1R3TAS1R1BIRC2POLB
SCHEMBL7365210 0.79 TAS1R3 (0.46) FOLH1TAS1R3TAS1R1BIRC2POLB
SCHEMBL7365213 0.79 TAS1R3 (0.46) FOLH1TAS1R3TAS1R1BIRC2POLB
SCHEMBL7328622 0.79 TAS1R3 (0.46) FOLH1TAS1R3TAS1R1BIRC2POLB

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 9 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
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