SCHEMBL7098682

SCHEMBL7098682

O=C(O)CCCCC(=O)OCCN1CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 6/20 0.44
DGKA P23743 1/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.39
NFKB1 P19838 1/20 0.39
PMP22 Q01453 1/20 0.39
GLA P06280 1/20 0.39
HTR6 P50406 2/20 0.38
PAM P19021 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KCNH2 Q12809 1/20 0.37
NPC1 O15118 1/20 0.37
PAOX Q6QHF9 1/20 0.37
KDM4E B2RXH2 1/20 0.37
BLM P54132 1/20 0.37

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
SCHEMBL6416791 0.92 DGKA (0.47) CYP1A2ALDH1A1DGKATSHRHTR6
SCHEMBL12551149 0.84 CYP1A2 (0.41) CYP1A2MAPK1SMN1; SMN2ALDH1A1TSHR
SCHEMBL17401259 0.82 DGKA (0.67) ALDH1A1DGKALMNATSHRPAM
SCHEMBL17401261 0.82 DGKA (0.67) ALDH1A1DGKALMNATSHRPAM
SCHEMBL11628693 0.82 DGKA (0.67) ALDH1A1DGKALMNATSHRPAM
SCHEMBL11593236 0.81 CYP1A2 (0.53) CYP1A2MAPK1SMN1; SMN2ALDH1A1LMNA
SCHEMBL31618323 0.80 CYP1A2 (0.56) CYP1A2MAPK1SMN1; SMN2ALDH1A1LMNA
SCHEMBL536437 0.80 DGKA (0.60) ALDH1A1DGKALMNATSHRNFKB1
SCHEMBL16312536 0.78 DGKA (0.56) ALDH1A1DGKALMNAPAML3MBTL1
SCHEMBL4401743 0.78 DGKA (0.64) ALDH1A1DGKALMNATSHRNFKB1

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-2003089476-A1 CROSS-LINKED HYALURONATE COMPOUNDS GENZYME CORPORATION (US) 2003-10-30 WO disclosed