SCHEMBL7279403

SCHEMBL7279403

CCOC(=O)C(F)(F)C(O)C(N)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 1/20 0.45
MMP8 P22894 2/20 0.45
LTA4H P09960 2/20 0.44
ALDH1A1 P00352 1/20 0.44
RECQL P46063 1/20 0.44
SLC15A1 P46059 1/20 0.43
LAP3 P28838 3/20 0.43
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ANPEP P15144 3/20 0.43
TAAR1 Q96RJ0 2/20 0.43
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
CSNK1E P49674 1/20 0.43
PIN1 Q13526 1/20 0.42
ALPI P09923 1/20 0.41
PKM P14618 1/20 0.41
PTGS1 P23219 1/20 0.41
XIAP P98170 1/20 0.41
SLC7A5 Q01650 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
SCHEMBL7279408 1.00 CTRB1 (0.45) CTRB1MMP8LTA4HALDH1A1RECQL
Hydrochloric Acid SCHEMBL6556117 0.99 CTRB1 (0.44) CTRB1MMP8LTA4HALDH1A1RECQL
Hydrochloric Acid SCHEMBL6556114 0.99 CTRB1 (0.44) CTRB1MMP8LTA4HALDH1A1RECQL
SCHEMBL7412834 0.82 SLC15A1 (0.50) CTRB1LTA4HSLC15A1LAP3ANPEP
SCHEMBL7412831 0.82 SLC15A1 (0.50) CTRB1LTA4HSLC15A1LAP3ANPEP
Hydrochloric Acid SCHEMBL22287450 0.79 KMT2A (0.35) ALDH1A1POLBNPSR1TAAR1LMNA
SCHEMBL13815187 0.79 ALOX15 (0.34) MMP8ALDH1A1POLBNPSR1LMNA
SCHEMBL289232 0.78 LAP3 (0.62) MMP8LTA4HALDH1A1SLC15A1LAP3
SCHEMBL976802 0.78 LAP3 (0.62) MMP8LTA4HALDH1A1SLC15A1LAP3
SCHEMBL5699595 0.78 LAP3 (0.62) MMP8LTA4HALDH1A1SLC15A1LAP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0997459-A1 Intermediates for preparing retroviral protease inhibiting compounds Abbott Laboratories (US) 2000-05-03 EP disclosed
US-5837873-A PROTECTED OXYDIAMINES ABBOTT LABORATORIES (US) 1998-11-17 US disclosed
EP-0402646-B1 Retroviral protease inhibiting compounds ABBOTT LAB (US) 1998-07-22 EP disclosed
US-5670675-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1997-09-23 US disclosed
US-5616714-A PYRIDYL, THIAZOLYL-SUBSTITUTED AMINO ACID DERIVATIVES ABBOTT LABORATORIES (US) 1997-04-01 US disclosed
US-5597926-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1997-01-28 US disclosed
US-5554783-A (2R, 3R, 4S, 5S)-3-ACETOXY-2,5-BIS/BENZYLOXYCARBONYLAMINO/ -4-BROMO-1,5-DIPHENYLHEXANE ABBOTT LABORATORIES (US) 1996-09-10 US disclosed
US-5545750-A TREATING HUMAN IMMUNODEFICIENCY VIRUS ABBOTT LABORATORIES (US) 1996-08-13 US disclosed
US-5541334-A TREATING HIV ABBOTT LABORATORIES (US) 1996-07-30 US disclosed
US-5354866-A Treating HIV infections ABBOTT LABORATORIES (US) 1994-10-11 US disclosed
US-5142056-A Human immunodeficiency virus protease inhibitor ABBOTT LABORATORIES (US) 1992-08-25 US disclosed
EP-0486948-A2 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1992-05-27 EP disclosed
EP-0402646-A1 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1990-12-19 EP disclosed