SCHEMBL6444837

SCHEMBL6444837

COC(=O)CCCCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.44
PLA2G2A P14555 1/20 0.43
PLA2G5 P39877 1/20 0.43
TSHR P16473 2/20 0.41
SDCBP O00560 2/20 0.40
SDC2 P34741 2/20 0.40
ALDH1A1 P00352 1/20 0.39
RECQL P46063 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL6446232 0.94 EPHX2 (0.48) EPHX2PLA2G2APLA2G5TSHRSDCBP
SCHEMBL622468 0.94 EPHX2 (0.48) EPHX2PLA2G2APLA2G5TSHRSDCBP
SCHEMBL621624 0.92 EPHX2 (0.50) EPHX2PLA2G2APLA2G5TSHRSDCBP
SCHEMBL621625 0.92 EPHX2 (0.50) EPHX2PLA2G2APLA2G5TSHRSDCBP
SCHEMBL6445084 0.92 EPHX2 (0.50) EPHX2PLA2G2APLA2G5TSHRSDCBP
SCHEMBL6445088 0.92 EPHX2 (0.50) EPHX2PLA2G2APLA2G5TSHRSDCBP
SCHEMBL18924154 0.90 FAAH (0.43) EPHX2TSHRALDH1A1RECQLSMN1; SMN2
SCHEMBL17570945 0.90 FAAH (0.43) EPHX2TSHRALDH1A1RECQLSMN1; SMN2
SCHEMBL464264 0.86 CTSS (0.43) EPHX2PLA2G2APLA2G5SDCBPSDC2
SCHEMBL12012827 0.85 EPHX2 (0.40) EPHX2PLA2G2APLA2G5SDCBPSDC2

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 7 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-0402646-B1 Retroviral protease inhibiting compounds ABBOTT LAB (US) 1998-07-22 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
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-0402646-A1 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1990-12-19 EP disclosed