SCHEMBL6500407

SCHEMBL6500407

CC(=O)OCC(CCc1ccc(-c2ccc(OCC(C)C)cc2)cc1)C(CC(N)=O)OC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.43
MMP12 P39900 2/20 0.40
TARBP2 Q15633 1/20 0.38
GAA P10253 2/20 0.37
HTT P42858 2/20 0.37
NR1H4 Q96RI1 2/20 0.36
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AR P10275 1/20 0.35
LMNA P02545 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
CNR1 P21554 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 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
SCHEMBL6528500 0.91 CTSA (0.39) ACACBMMP12TARBP2GAAHTT
SCHEMBL6530111 0.84 SRC (0.38) ACACBMMP12
SCHEMBL6504727 0.82 S1PR1 (0.45) MMP12MAPT
SCHEMBL6529512 0.82 MMP12 (0.40) MMP12TDP1
SCHEMBL6530514 0.81 FDFT1 (0.41) ACACBMMP12NR1H4LMNA
SCHEMBL6529689 0.80 LMNA (0.37) ACACBMMP12LMNA
SCHEMBL6527581 0.80 MMP12 (0.36) MMP12LMNA
SCHEMBL6499997 0.80 LMNA (0.36) ACACBMMP12LMNA
SCHEMBL6530992 0.79 LMNA (0.40) MMP12LMNA
SCHEMBL6529532 0.79 S1PR1 (0.44) MMP12CYP3A4

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-2005014525-A2 BI-ARYL COMPOUND HAVING IMMUNOSUPPRESSIVE ACTIVITY MITSUBISHI PHARMA CORPORATION (JP) 2005-02-17 WO disclosed