SCHEMBL7301109

SCHEMBL7301109

COC(=O)[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)C(C)C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.70
POLB P06746 3/20 0.65
GFER P55789 1/20 0.65
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
GAA P10253 1/20 0.58
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
KDM4E B2RXH2 1/20 0.56
CCR1 P32246 1/20 0.51
MAPT P10636 3/20 0.50
HTT P42858 2/20 0.50
ALDH1A1 P00352 1/20 0.50
HCRTR1 O43613 1/20 0.49
USP2 O75604 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL7301105 1.00 HSD17B10 (0.70) HSD17B10POLBGFERMEN1KMT2A
SCHEMBL7308861 0.88 GAA (0.66) HSD17B10POLBGFERMEN1KMT2A
SCHEMBL7308857 0.88 GAA (0.66) HSD17B10POLBGFERMEN1KMT2A
SCHEMBL12279477 0.87 HSD17B10 (0.61) HSD17B10POLBGFERMEN1KMT2A
SCHEMBL11049712 0.82 GAA (0.68) HSD17B10POLBGFERMEN1KMT2A
SCHEMBL7440380 0.81 CYP2D6 (0.71) HSD17B10POLBGFERMEN1KMT2A
SCHEMBL7440377 0.81 CYP2D6 (0.71) HSD17B10POLBGFERMEN1KMT2A
SCHEMBL12280004 0.81 HSD17B10 (0.54) HSD17B10MEN1KMT2A
SCHEMBL7311788 0.80 MEN1 (0.49) HSD17B10POLBGFERMEN1KMT2A
SCHEMBL7311795 0.80 MEN1 (0.49) HSD17B10POLBGFERMEN1KMT2A

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