SCHEMBL19074331

SCHEMBL19074331

CNC(=O)c1cc(OCc2ccc(C(=O)c3ccccc3)cc2)cc(OCc2ccc(C(=O)c3ccccc3)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
HTT P42858 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
SRD5A2 P31213 2/20 0.58
MAPT P10636 2/20 0.58
RAB9A P51151 2/20 0.58
GAA P10253 1/20 0.58
MRGPRX4 Q96LA9 1/20 0.57
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
PPARG P37231 1/20 0.54
ATM Q13315 1/20 0.53
GCK P35557 1/20 0.53
SMPD1 P17405 2/20 0.52
MAOB P27338 1/20 0.51
BRD4 O60885 1/20 0.51
SPHK2 Q9NRA0 1/20 0.50
SPHK1 Q9NYA1 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL3592344 0.85 SMN1; SMN2 (0.62) ALDH1A1HTTSMN1; SMN2L3MBTL1SRD5A2
SCHEMBL3599480 0.84 MEN1 (0.79) ALDH1A1HTTSMN1; SMN2L3MBTL1SRD5A2
SCHEMBL13441597 0.84 ALDH1A1 (0.54) ALDH1A1HTTSMN1; SMN2L3MBTL1SRD5A2
SCHEMBL3586824 0.82 SPHK2 (0.58) ALDH1A1HTTSMN1; SMN2L3MBTL1SRD5A2
SCHEMBL14506210 0.82 SPHK2 (0.55) ALDH1A1HTTSMN1; SMN2L3MBTL1SRD5A2
SCHEMBL13702365 0.82 SMPD1 (0.76) HTTSRD5A2RAB9AMRGPRX4KMT2A
SCHEMBL3601138 0.82 SRD5A2 (0.62) ALDH1A1HTTSMN1; SMN2L3MBTL1SRD5A2
SCHEMBL14533430 0.82 PARP10 (0.63) ALDH1A1HTTSMN1; SMN2L3MBTL1SRD5A2
SCHEMBL1056460 0.80 MRGPRX4 (0.74) ALDH1A1SMN1; SMN2L3MBTL1SRD5A2MAPT
SCHEMBL17414619 0.78 MAOB (0.55) ALDH1A1HTTSMN1; SMN2MAPTRAB9A

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-1141385-B1 TARGET MOLECULE ATTACHMENT TO SURFACES SURMODICS INC (US) 2017-07-05 EP disclosed