SCHEMBL8804541

SCHEMBL8804541

CC(C)(C)c1cc(CCc2ccccc2NC(=O)NCC2(c3ccc4c(c3)OCO4)CCCC2)cc(C(C)(C)C)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
SLC6A3 Q01959 5/20 0.45
SLC6A4 P31645 4/20 0.45
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
CCR3 P51677 2/20 0.39
GSK3B P49841 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
PKM P14618 1/20 0.38
ALOX12 P18054 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL8804251 0.85 SOAT2 (0.50) KMT2AKDM4EMEN1CYP3A4CYP2C19
SCHEMBL8805028 0.76 SLC6A3 (0.43) KMT2ASLC6A3SLC6A4MEN1RAB9A
SCHEMBL8805284 0.76 CFD (0.48) KMT2AKDM4EMEN1CCR3GSK3B
SCHEMBL8804419 0.76 KMT2A (0.46) KMT2AKDM4EMEN1TSHRCYP1A2
SCHEMBL8804874 0.75 MAOB (0.49) KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL8804953 0.73 TRPV1 (0.49) KMT2AMEN1CCR3RAB9ANPC1
SCHEMBL8803511 0.73 GAA (0.55) KMT2AKDM4EMEN1TSHRCYP1A2
SCHEMBL8803749 0.73 MAOB (0.44) KMT2AMEN1CCR3CYP1A2CYP2D6
SCHEMBL8804312 0.73 ALDH1A1 (0.51) KMT2AMEN1SMN1; SMN2
SCHEMBL8805315 0.72 POLB (0.60) KMT2AMEN1SMN1; SMN2USP2POLB

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