SCHEMBL6447831

SCHEMBL6447831

CC(C)C[C@](CC(=O)OC(C)(C)C)(Cc1ccccc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.39
PPARG P37231 2/20 0.39
TSHR P16473 1/20 0.38
TRPA1 O75762 1/20 0.38
CTSS P25774 3/20 0.38
KCNH2 Q12809 2/20 0.38
OPRM1 P35372 2/20 0.38
OPRD1 P41143 2/20 0.38
CTSK P43235 2/20 0.38
MRGPRX2 Q96LB1 1/20 0.38
CHRM3 P20309 1/20 0.38
HRH2 P25021 1/20 0.38
HTR2A P28223 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRK1 P41145 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL7280321 0.89 HIF1A (0.43) PPARAPPARGCTSSCTSKCTSL
SCHEMBL7355721 0.83 HIF1A (0.43) PPARAPPARGTSHRTRPA1SMN1; SMN2
SCHEMBL2466818 0.78 SMN1; SMN2 (0.44) PPARAPPARGTSHRTRPA1KCNH2
SCHEMBL5681996 0.77 CTSS (0.40) PPARACTSSCTSKALDH1A1
SCHEMBL31266404 0.75 ALDH1A1 (0.41) TSHRCTSSKCNH2OPRM1OPRD1
SCHEMBL7813698 0.74 SMN1; SMN2 (0.49) PPARAPPARGCTSSCTSKCTSL
SCHEMBL7376436 0.73 MAPT (0.32) TSHRCTSSCTSKCTSLCTSB
SCHEMBL26931972 0.72 SMN1; SMN2 (0.50) PPARAPPARGCTSSCTSKCTSL
SCHEMBL19517704 0.72 PPARA (0.47) PPARAPPARGCTSSCTSKCTSL
SCHEMBL19517701 0.72 PPARA (0.47) PPARAPPARGCTSSCTSKCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0839798-B1 Intermediates for preparating non-peptide retroviral protease inhibitors ABBOTT LAB (US) 2005-08-17 EP disclosed
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
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