SCHEMBL8804169

SCHEMBL8804169

CC(C)(C)c1cc(CCc2ccccc2NC(=O)N2CCC(N3CCCCC3)CC2)cc(C(C)(C)C)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAOB P27338 3/20 0.42
MAOA P21397 2/20 0.42
GAA P10253 1/20 0.40
ACHE P22303 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 2/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
TP53BP1 Q12888 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL8804756 0.90 KMT2A (0.52) MEN1KMT2AKDM4ESMN1; SMN2MAOB
SCHEMBL8803850 0.84 KDM4E (0.48) MEN1KMT2AKDM4EMAOBMAOA
SCHEMBL8804828 0.84 FAAH (0.56) CCR3MEN1KMT2ASMN1; SMN2MAOB
SCHEMBL8804549 0.82 ALDH1A1 (0.46) CYP2C19MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL8804366 0.82 MAOB (0.43) MEN1KMT2AKDM4ESMN1; SMN2MAOB
SCHEMBL8804771 0.82 SMN1; SMN2 (0.46) MEN1KMT2AKDM4ESMN1; SMN2MAOB
SCHEMBL8803216 0.82 KMT2A (0.50) CCR3CYP2D6MEN1KMT2AKDM4E
SCHEMBL8804730 0.81 MEN1 (0.43) MEN1KMT2AKDM4ESMN1; SMN2MAOB
SCHEMBL8804511 0.81 MAPT (0.58) CYP3A4CYP2C19MEN1KMT2AKDM4E
SCHEMBL8805530 0.81 ALDH1A1 (0.43) MEN1KMT2AKDM4ESMN1; SMN2MAOB

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