SCHEMBL6530119

SCHEMBL6530119

CCCCOc1ccc(-c2ccc(CCC(COC(C)=O)C(CC(N)=O)OC(C)=O)cc2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.44
ATM Q13315 1/20 0.41
GLA P06280 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BACE1 P56817 1/20 0.39
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PPARG P37231 1/20 0.36
KCNH2 Q12809 2/20 0.35
MMP12 P39900 1/20 0.35
MAPK1 P28482 2/20 0.35
LTB4R Q15722 2/20 0.35
LTB4R2 Q9NPC1 2/20 0.35
ACACB O00763 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
PTPN1 P18031 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
SCHEMBL6506648 0.90 PTPN11 (0.40) S1PR1ATMGLASMN1; SMN2BACE1
SCHEMBL6529532 0.90 S1PR1 (0.44) S1PR1PPARGMMP12PTPN1PTPN6
SCHEMBL6532172 0.86 LTA4H (0.42) PTPN1PTPN6PTPN11
SCHEMBL6530514 0.85 FDFT1 (0.41) PPARGMMP12ACACBLMNA
SCHEMBL6527581 0.84 MMP12 (0.36) S1PR1MMP12LMNA
SCHEMBL6499997 0.83 LMNA (0.36) PPARGMMP12ACACBLMNA
SCHEMBL6504727 0.83 S1PR1 (0.45) S1PR1ALDH1A1MMP12MEN1MAPT
SCHEMBL6529689 0.82 LMNA (0.37) PPARGMMP12ACACBLMNAPTPN11
SCHEMBL6529753 0.82 PPARG (0.34) SMN1; SMN2PPARGMEN1LMNAKMT2A
SCHEMBL6530111 0.81 SRC (0.38) KCNH2MMP12ACACB

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