SCHEMBL8763177

SCHEMBL8763177

C=C(C)COCC(O)CN(CC)CC

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
POLB P06746 2/20 0.38
ABCB1 P08183 4/20 0.38
ACHE P22303 1/20 0.36
TSHR P16473 2/20 0.35
NPY1R P25929 2/20 0.35
NPY2R P49146 2/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
HSF1 Q00613 1/20 0.33
NPC1 O15118 1/20 0.33
HSD17B10 Q99714 1/20 0.32
USP2 O75604 1/20 0.31

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
SCHEMBL8764055 0.87 ALDH1A1 (0.38) LMNAPOLBHSF1HSD17B10USP2
SCHEMBL8763293 0.84 HTT (0.32) LMNAHSD17B10USP2
SCHEMBL1303312 0.84 LMNA (0.31) LMNA
SCHEMBL1303065 0.82 LMNA (0.30) LMNA
SCHEMBL1302408 0.82 LMNA (0.30) LMNA
SCHEMBL1302321 0.82 LMNA (0.30) LMNA
SCHEMBL29265037 0.82 LMNA (0.51) LMNAPOLBABCB1ACHETSHR
SCHEMBL8762146 0.81 HIF1A (0.42) LMNAABCB1
SCHEMBL201963 0.80 KDM4E (0.34) HSD17B10USP2
SCHEMBL17083479 0.78 LMNA (0.49) LMNAPOLBABCB1ACHETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0783589-A1 TRANSPORTABILITY IMPROVER FOR PULVERIZED COAL Kao Corporation (JP) 1997-07-16 EP disclosed
WO-1996010093-A1 TRANSPORTABILITY IMPROVER FOR PULVERIZED COAL KAO CORPORATION (JP) 1996-04-04 WO disclosed
US-4663061-A Metal-working oil composition KAO CORPORATION (JP) 1987-05-05 US disclosed