SCHEMBL7361586

SCHEMBL7361586

CC(C)[C@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
HPGD P15428 2/20 0.67
MAPT P10636 1/20 0.67
KMT2A Q03164 3/20 0.61
MEN1 O00255 2/20 0.54
LMNA P02545 2/20 0.53
MMP2 P08253 2/20 0.51
MMP3 P08254 2/20 0.51
MMP13 P45452 2/20 0.51
ADAMTS4 O75173 1/20 0.51
MMP1 P03956 1/20 0.51
MMP7 P09237 1/20 0.51
MMP9 P14780 1/20 0.51
SDCBP O00560 1/20 0.51
SDC2 P34741 1/20 0.51
GAA P10253 2/20 0.50
ABCC4 O15439 1/20 0.50
TSHR P16473 1/20 0.50
PTGS1 P23219 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL4412847 0.91 POLB (0.59) ALDH1A1HPGDMAPTKMT2AMEN1
SCHEMBL10432164 0.91 POLB (0.59) ALDH1A1HPGDMAPTKMT2AMEN1
SCHEMBL4412844 0.91 POLB (0.59) ALDH1A1HPGDMAPTKMT2AMEN1
SCHEMBL18030160 0.90 ALDH1A1 (0.65) ALDH1A1HPGDMAPTKMT2AMEN1
Alanine SCHEMBL1679645 0.85 POLB (0.54) ALDH1A1HPGDMAPTKMT2AMEN1
SCHEMBL10654474 0.84 HPGD (0.55) ALDH1A1HPGDMAPTKMT2AMEN1
SCHEMBL10654476 0.84 HPGD (0.55) ALDH1A1HPGDMAPTKMT2AMEN1
SCHEMBL16312240 0.82 ELANE (0.54) ALDH1A1KMT2AMEN1MMP13ADAMTS4
SCHEMBL16312234 0.82 HTT (0.61) ALDH1A1MAPTLMNAMMP2MMP3
SCHEMBL9832132 0.81 POLB (0.52) ALDH1A1HPGDMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998025949-A1 SUBSTITUTED 5-AMINO-1,3,4-THIADIAZOLE-2-THIONES PROSCRIPT, INC. (US) 1998-06-18 WO disclosed
EP-0845002-A2 AMINO ACID AMIDES OF 5-AMINO-1,3,4-THIADIAZONES AND THEIR USE AS INHIBITORS FOR MATRIX METALLOPROTEINASES PROSCRIPT, INC. (US) 1998-06-03 EP disclosed
US-5677282-A ENZYME INHIBITOR; OSTEOARTHRITIS AND RHEUMATIC DISORDERS PROSCRIPT, INC. (US) 1997-10-14 US disclosed
WO-1996040745-A2 AMINO ACID AMIDES OF 5-AMINO-1,3,4-THIADIAZONES AND THEIR USE AS INHIBITORS FOR MATRIX METALLOPROTEINASES PROSCRIPT, INC. (US) 1996-12-19 WO disclosed