SCHEMBL8804172

SCHEMBL8804172

[CH2]C1(c2ccc3c(c2)OCO3)CCCC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 8/20 0.57
SLC6A4 P31645 7/20 0.53
LMNA P02545 1/20 0.45
CYP3A4 P08684 2/20 0.42
HDAC1 Q13547 1/20 0.41
CYP1A2 P05177 1/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL8239013 0.76 SLC6A3 (0.64) SLC6A3SLC6A4LMNA
SCHEMBL18769444 0.74 SLC6A3 (0.57) SLC6A3SLC6A4LMNACYP3A4ALDH1A1
SCHEMBL558007 0.74 SLC6A3 (0.97) SLC6A3SLC6A4LMNA
SCHEMBL13073555 0.73 SLC6A3 (0.54) SLC6A3SLC6A4CYP3A4ALDH1A1HSD17B10
SCHEMBL3604519 0.73 SLC6A3 (0.56) SLC6A3SLC6A4LMNACYP3A4ALDH1A1
Hydrochloric Acid SCHEMBL18742757 0.73 SLC6A3 (0.55) SLC6A3SLC6A4LMNACYP3A4ALDH1A1
SCHEMBL8285885 0.73 SLC6A3 (0.62) SLC6A3SLC6A4LMNAHDAC1ALDH1A1
SCHEMBL21937622 0.73 SLC6A3 (0.55) SLC6A3SLC6A4LMNAHDAC1ALDH1A1
SCHEMBL3519183 0.73 SLC6A3 (0.55) SLC6A3SLC6A4LMNACYP3A4HDAC1
SCHEMBL1684359 0.73 HDAC1 (0.55) SLC6A3SLC6A4HDAC1ALDH1A1MAPK1

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-0625507-B1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO (JP) 1997-07-23 EP disclosed
US-5621010-A ANTIHYPERCHOLESTEROLEMIA AND ANTIATHEROSCLEROSIS NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-04-15 US disclosed
EP-0625507-A2 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO., LTD. (JP) 1994-11-23 EP disclosed