SCHEMBL7355350

SCHEMBL7355350

CC(C)[C@H](NC(=O)N1CCC(NCC(=O)OC(C)(C)C)CC1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.41
ALOX15 P16050 1/20 0.39
PREP P48147 1/20 0.37
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
EPHX1 P07099 1/20 0.36
POLB P06746 2/20 0.35
CYP2D6 P10635 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSK P43235 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL7354959 0.84 CMA1 (0.45) KMT2AMEN1ALOX15MAPT
SCHEMBL7355109 0.83 KMT2A (0.54) KMT2AMEN1ALDH1A1L3MBTL1MAPT
SCHEMBL7417378 0.82 TSHR (0.48) TSHRKMT2AMEN1ALOX15PREP
SCHEMBL7417381 0.82 TSHR (0.48) TSHRKMT2AMEN1ALOX15PREP
SCHEMBL30886009 0.77 EPHX1 (0.57) KMT2AALDH1A1SMN1; SMN2L3MBTL1NPC1
SCHEMBL5711219 0.75 HSD11B1 (0.44) TSHRKMT2AMEN1ALOX15PREP
SCHEMBL13738052 0.75 EPHX1 (0.42) TSHRKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL7419142 0.74 KMT2A (0.50) TSHRKMT2AMEN1PREPALDH1A1
SCHEMBL7380787 0.73 EPHX1 (0.38) TSHRKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL7417375 0.73 CTSK (0.43) TSHRKMT2AMEN1PREPALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993025574-A1 INHIBITORS OF ANGIOTENSIN I CHYMASE(S) INCLUDING HUMAN HEART CHYMASE PFIZER INC. (US) 1993-12-23 WO disclosed