SCHEMBL8780450

SCHEMBL8780450

CCCCCCCc1n[nH]cc1-c1ccc(C(=O)OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP4A11 Q02928 2/20 0.45
CYP4F2 P78329 1/20 0.45
MGLL Q99685 1/20 0.44
TLR8 Q9NR97 1/20 0.44
SGK1 O00141 1/20 0.41
CAMKK2 Q96RR4 1/20 0.41
RARB P10826 4/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
RARA P10276 1/20 0.41
MTOR P42345 1/20 0.41
KMT2A Q03164 1/20 0.41
CDC25B P30305 1/20 0.41
NPC1 O15118 1/20 0.40
CASP1 P29466 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL8780378 0.87 RARB (0.56) MAPTSMN1; SMN2RARBALDH1A1MEN1
SCHEMBL8092224 0.77 CNR2 (0.39) SMN1; SMN2MGLLALDH1A1MEN1KMT2A
SCHEMBL5327988 0.77 CYP3A4 (0.44) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL2401275 0.76 RARB (0.69) MAPTSMN1; SMN2CYP4A11CYP4F2RARB
SCHEMBL20874436 0.76 RARB (0.69) MAPTSMN1; SMN2CYP4A11CYP4F2RARB
SCHEMBL4188800 0.76 RARB (0.69) MAPTSMN1; SMN2CYP4A11CYP4F2RARB
SCHEMBL4178997 0.76 RARB (0.69) MAPTSMN1; SMN2CYP4A11CYP4F2RARB
Hexane SCHEMBL28004600 0.74 MGLL (0.63) MAPTSMN1; SMN2CYP4A11CYP4F2MGLL
SCHEMBL19288566 0.74 RARB (0.69) MAPTSMN1; SMN2CYP4A11CYP4F2RARB
SCHEMBL10986414 0.73 CYP4A11 (0.73) MAPTSMN1; SMN2CYP4A11CYP4F2RARB

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-0788511-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-13 EP disclosed