SCHEMBL9265337

SCHEMBL9265337

O=C(O)CCC1(OCc2ccccc2)CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 12/20 0.44
FFAR1 O14842 3/20 0.42
KEAP1 Q14145 1/20 0.42
HTT P42858 1/20 0.40
SLC1A3 P43003 2/20 0.40
SLC1A2 P43004 2/20 0.40
SLC1A1 P43005 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC3 O15379 1/20 0.40
MAPK1 P28482 1/20 0.40
ADRA1A P35348 1/20 0.40
HDAC4 P56524 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HDAC1 Q13547 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL5164870 0.84 FFAR4 (0.47) FFAR4FFAR1KEAP1MEN1KMT2A
SCHEMBL16177255 0.78 CTSL (0.36) FFAR4KMT2A
SCHEMBL9316292 0.77 FFAR4 (0.41) FFAR4FFAR1KEAP1HTTSLC1A3
SCHEMBL9020639 0.75 TSHR (0.40) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL9316297 0.74 SLC1A3 (0.36) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL13512970 0.73 HTT (0.51) HTTMEN1KMT2ASMN1; SMN2
SCHEMBL19094203 0.71 TSHR (0.40) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL19745328 0.71 SLC1A3 (0.45) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL21638945 0.71 TSHR (0.43) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL20551920 0.71 TSHR (0.43) SLC1A3SLC1A2SLC1A1MEN1CYP1A2

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-0641327-A1 NOVEL ALPHA-MANNOSIDASE INHIBITORS MERRELL PHARMACEUTICALS INC. (US) 1995-03-08 EP disclosed
WO-1993005781-A1 NOVEL ALPHA-MANNOSIDASE INHIBITORS MERRELL DOW PHARMACEUTICALS INC. (US) 1993-04-01 WO disclosed