SCHEMBL7310419

SCHEMBL7310419

O=C(N[C@H](C=C[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)Cc1ccccc1)OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 6/20 0.62
CTSB P07858 6/20 0.62
CTRB1 P17538 2/20 0.62
CTSS P25774 4/20 0.61
TACR1 P25103 2/20 0.56
ATM Q13315 1/20 0.55
CTSK P43235 1/20 0.54

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
SCHEMBL2736209 1.00 CTSL (0.62) CTSLCTSBCTRB1CTSSTACR1
SCHEMBL2736217 1.00 CTSL (0.62) CTSLCTSBCTRB1CTSSTACR1
SCHEMBL12249355 0.92 CTSB (0.56) CTSLCTSBCTRB1CTSSATM
SCHEMBL12249398 0.92 CTSB (0.56) CTSLCTSBCTRB1CTSSATM
SCHEMBL15159967 0.91 SYK (0.60) CTSLCTSBCTRB1CTSSATM
SCHEMBL8784405 0.90 CTSL (0.57) CTSLCTSBCTRB1CTSSTACR1
SCHEMBL3337955 0.89 CTSB (0.66) CTSLCTSBCTRB1CTSSTACR1
SCHEMBL3132344 0.89 CTSB (0.66) CTSLCTSBCTRB1CTSSTACR1
SCHEMBL630290 0.89 CTSB (0.66) CTSLCTSBCTRB1CTSSTACR1
SCHEMBL10508932 0.88 CTRB1 (0.59) CTSLCTSBCTRB1CTSSTACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0486948-B1 Retroviral protease inhibiting compounds ABBOTT LAB (US) 2000-10-04 EP disclosed
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
US-5648497-A Retroviral protease inhibiting compounds ABBOTT LABORAOTRIES (US) 1997-07-15 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-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
EP-0486948-A2 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1992-05-27 EP disclosed