SCHEMBL13015346

SCHEMBL13015346

COC(=O)[C@@H]1C(C(=O)O)CC(CI)N1C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.47
CPB1 P15086 1/20 0.47
AGTR2 P50052 4/20 0.44
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 2/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 2/20 0.41
MITF O75030 1/20 0.41
MAPT P10636 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 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
SCHEMBL12282385 0.87 HTR2C (0.51) HTR2CCPB1AGTR2CYP2C9CYP2C19
SCHEMBL8301426 0.87 ALDH1A1 (0.43) HTR2CCPB1AGTR2CYP2C9CYP2C19
SCHEMBL17234175 0.78 HTR2C (0.58) HTR2CCPB1AGTR2CYP2C9CYP2C19
SCHEMBL29979939 0.78 HTR2C (0.58) HTR2CCPB1AGTR2CYP2C9CYP2C19
SCHEMBL29587713 0.77 HTR2C (0.59) HTR2CCPB1AGTR2CYP2C9CYP2C19
SCHEMBL9546447 0.76 HTR2C (0.57) HTR2CCPB1AGTR2CYP2C9CYP2C19
SCHEMBL11151887 0.74 HTR2C (0.49) HTR2CCPB1AGTR2CYP2C9CYP2C19
SCHEMBL6625918 0.74 FKBP1A (0.52) HTR2CALDH1A1CYP3A4TSHRNPC1
SCHEMBL29587180 0.74 HCRTR2 (0.57) HTR2CCPB1AGTR2CYP2C9CYP2C19
SCHEMBL12282046 0.74 HTR2C (0.51) HTR2CCPB1AGTR2CYP2C9CYP2C19

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
EP-2264030-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases Incyte Corporation (US) 2010-12-22 EP disclosed