SCHEMBL9577672

SCHEMBL9577672

CCCCCCCC(C)N(Cc1ccc(OCOCCOC)cc1)C(=O)Nc1ccc(Cl)cc1OCC

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
PPARG P37231 1/20 0.36
ALDH1A1 P00352 2/20 0.34
PTGES O14684 1/20 0.34
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
MAPK1 P28482 1/20 0.33
ASAH2 Q9NR71 2/20 0.33
UBE2M P61081 1/20 0.33
DCUN1D1 Q96GG9 1/20 0.33
MRGPRX1 Q96LB2 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33

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
SCHEMBL9257832 0.85 HDAC1 (0.44) GAAMEN1KMT2APPARGTSHR
SCHEMBL9256976 0.80 HDAC1 (0.46) GAAMEN1KMT2APPARGTSHR
SCHEMBL9252884 0.78 HDAC1 (0.46) GAAMAPTTP53PPARGTSHR
SCHEMBL9260748 0.78 PPARG (0.39) GAAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL9260818 0.76 SOAT1 (0.43) GAAMEN1KMT2APPARGNPSR1
SCHEMBL9257144 0.74 HDAC6 (0.38) GAAHTTMAPK1
SCHEMBL9257679 0.73 HDAC6 (0.55) KMT2ATSHR
SCHEMBL9252264 0.73 SOAT1 (0.46) GAAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL9252619 0.72 HDAC1 (0.51) GAAMAPTPPARGALDH1A1TSHR
SCHEMBL9260018 0.70 HDAC6 (0.47) MEN1KMT2ASMN1; SMN2PPARGPTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0550568-A1 ANTI-ATHEROSCLEROTIC ARYL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1993-07-14 EP disclosed
WO-1992006075-A1 ANTI-ATHEROSCLEROTIC ARYL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1992-04-16 WO disclosed