SCHEMBL3922657

SCHEMBL3922657

CC(C)N(C(=O)O)c1cccc([C@@H](C)O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HTR2C P28335 3/20 0.43
LMNA P02545 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TP53 P04637 1/20 0.42
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
PTGS1 P23219 2/20 0.38
CXCR1 P25024 2/20 0.38
CXCR2 P25025 2/20 0.38
PTGS2 P35354 2/20 0.38
RECQL P46063 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
PMP22 Q01453 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL3930203 0.85 HTR2C (0.42) HTR2CLMNASMN1; SMN2ALDH1A1TP53
SCHEMBL1561077 0.84 ACHE (0.49) MEN1KMT2AHTR2CLMNASMN1; SMN2
SCHEMBL1561101 0.84 ACHE (0.49) MEN1KMT2AHTR2CLMNASMN1; SMN2
SCHEMBL3933066 0.78 HTR2C (0.47) MEN1KMT2AHTR2CLMNASMN1; SMN2
SCHEMBL578453 0.78 ALDH1A1 (0.47) MEN1KMT2AHTR2CLMNASMN1; SMN2
SCHEMBL16934132 0.78 ALDH1A1 (0.47) HTR2CLMNASMN1; SMN2ALDH1A1TP53
SCHEMBL5262282 0.78 MTNR1A (0.44) MEN1KMT2AHTR2CLMNASMN1; SMN2
SCHEMBL2850199 0.78 HTR2C (0.47) HTR2CLMNASMN1; SMN2ALDH1A1TP53
SCHEMBL2543696 0.78 ALDH1A1 (0.63) MEN1KMT2AHTR2CLMNASMN1; SMN2
SCHEMBL11672124 0.76 MEN1 (0.46) MEN1KMT2ALMNAALDH1A1KDM4E

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
EP-2041118-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen, Inc (US) 2009-04-01 EP disclosed
WO-2007114827-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2007-10-11 WO disclosed