SCHEMBL7279082

SCHEMBL7279082

COC(=O)[C@@H](NC(=O)OCCN1CCCC1)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
ATM Q13315 1/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 2/20 0.38
ACACB O00763 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
SCHEMBL7279077 1.00 TSHR (0.41) TSHRATMKMT2AMAPTHSD17B10
SCHEMBL6448199 0.87 TDP1 (0.45) TSHRATMKMT2AACACB
SCHEMBL6448194 0.87 TDP1 (0.45) TSHRATMKMT2AACACB
SCHEMBL7270231 0.87 ITGB3 (0.40) ATMKMT2AMEN1ACACB
SCHEMBL7270239 0.87 ITGB3 (0.40) ATMKMT2AMEN1ACACB
Lithium Ion SCHEMBL7270236 0.85 HRH3 (0.41) KMT2AMEN1ACACB
SCHEMBL25978964 0.84 HRH3 (0.45) KMT2AMEN1ACACB
SCHEMBL12014424 0.77 KMT2A (0.46) KMT2AMEN1
SCHEMBL11602398 0.76 MAPT (0.43) TSHRKMT2AMAPTHSD17B10MEN1
SCHEMBL6444920 0.75 ALDH1A1 (0.47) TSHRATMKMT2AMEN1ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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