SCHEMBL4621065

SCHEMBL4621065

C[C@H](NS(=O)(=O)CCc1ccccc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.51
MMP12 P39900 2/20 0.51
MMP13 P45452 2/20 0.51
TSHR P16473 2/20 0.51
KMT2A Q03164 2/20 0.51
MMP1 P03956 1/20 0.51
MMP7 P09237 1/20 0.51
MEN1 O00255 1/20 0.51
ADAMTS4 O75173 1/20 0.49
IDO1 P14902 1/20 0.49
HTT P42858 1/20 0.48
ALDH1A1 P00352 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 1/20 0.45
HPGD P15428 1/20 0.44
ACLY P53396 1/20 0.44
ACE P12821 1/20 0.44
PTGES2 Q9H7Z7 1/20 0.43
SLC1A3 P43003 1/20 0.43

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
SCHEMBL4621599 1.00 MMP8 (0.51) MMP8MMP12MMP13TSHRKMT2A
SCHEMBL4619221 1.00 MMP8 (0.51) MMP8MMP12MMP13TSHRKMT2A
SCHEMBL8095873 0.86 MEN1 (0.45) MMP8MMP12MMP13TSHRKMT2A
SCHEMBL4620781 0.84 MMP8 (0.56) MMP8MMP12MMP13KMT2AMEN1
SCHEMBL4621111 0.84 MMP8 (0.56) MMP8MMP12MMP13KMT2AMEN1
SCHEMBL4620227 0.84 MMP8 (0.56) MMP8MMP12MMP13KMT2AMEN1
SCHEMBL7475872 0.83 SLC1A3 (0.60) MMP8MMP12MMP13TSHRKMT2A
SCHEMBL18697078 0.83 SLC1A3 (0.60) MMP8MMP12MMP13TSHRKMT2A
SCHEMBL7462670 0.83 SLC1A3 (0.60) MMP8MMP12MMP13TSHRKMT2A
SCHEMBL10879503 0.83 IDO1 (0.54) MMP8MMP12MMP13KMT2AMMP1

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-1884230-A1 PARAKERATOSIS INHIBITOR, PORE-SHRINKING AGENT OR AGENT FOR PREVENTING/AMELIORATING ROUGH SKIN AND EXTERNAL COMPOSITION FOR SKIN Shiseido Company, Limited (JP) 2008-02-06 EP disclosed