SCHEMBL9157928

SCHEMBL9157928

Cc1nn(C(C)(C)C)c(C(=O)O)c1OC(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
KMT2A Q03164 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.32
FPR1 P21462 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MAPT P10636 2/20 0.31
TSHR P16473 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
USP2 O75604 1/20 0.30
ALOX15 P16050 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
MCOLN3 Q8TDD5 1/20 0.30

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
SCHEMBL9165974 0.79 MAPT (0.37) SMN1; SMN2KMT2ATDP1LMNAMAPT
SCHEMBL9166485 0.78 ALDH1A1 (0.35) KMT2AHTTMAPTTP53
SCHEMBL9161861 0.77 ALDH1A1 (0.31) HTTMAPT
SCHEMBL9164310 0.67 KDM4E (0.37) SMN1; SMN2KMT2AMEN1LMNARAB9A
SCHEMBL23398832 0.64 LMNA (0.35) SMN1; SMN2KMT2ATDP1MEN1LMNA
SCHEMBL1194986 0.64 MAPK1 (0.45) SMN1; SMN2TDP1LMNAHTTNPC1
SCHEMBL22286223 0.61 HPGD (0.47) SMN1; SMN2KMT2ATSHRMAPK1NPSR1
SCHEMBL9825854 0.59 KMT2A (0.33) KMT2A
SCHEMBL21719161 0.59 NPC1 (0.35) SMN1; SMN2NPC1RAB9AMAPTGAA
SCHEMBL21721031 0.58 TP53 (0.36) SMN1; SMN2TDP1LMNAHTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5442060-A Treating hyperlipemia, atherosclerosis MITSUBISHI KASEI CORPORATION (JP) 1995-08-15 US disclosed
EP-0591830-A1 Carboxamide and urea derivatives having ACAT-inhibiting activityM Mitsubishi Chemical Corporation (JP) 1994-04-13 EP disclosed