SCHEMBL5260445

SCHEMBL5260445

CC(C)N(C(=O)O)c1cccc(C(C)(C)O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MLYCD O95822 2/20 0.38
NR1H3 Q13133 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
ACHE P22303 2/20 0.37
NLRP3 Q96P20 1/20 0.37
RORC P51449 1/20 0.36
CETP P11597 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL77791 0.89 ACHE (0.47) HTR2CALDH1A1LMNATP53SMN1; SMN2
SCHEMBL3933066 0.76 HTR2C (0.47) HTR2CALDH1A1LMNATP53SMN1; SMN2
SCHEMBL16934132 0.76 ALDH1A1 (0.47) HTR2CALDH1A1LMNATP53SMN1; SMN2
SCHEMBL578453 0.76 ALDH1A1 (0.47) HTR2CALDH1A1LMNATP53SMN1; SMN2
SCHEMBL5262282 0.76 MTNR1A (0.44) HTR2CALDH1A1LMNATP53SMN1; SMN2
SCHEMBL2850199 0.76 HTR2C (0.47) HTR2CALDH1A1LMNATP53SMN1; SMN2
SCHEMBL2543696 0.75 ALDH1A1 (0.63) HTR2CALDH1A1LMNATP53SMN1; SMN2
SCHEMBL2940747 0.75 HDAC8 (0.48) ALDH1A1LMNATP53SMN1; SMN2MLYCD
SCHEMBL3922657 0.74 MEN1 (0.45) HTR2CALDH1A1LMNATP53SMN1; SMN2
SCHEMBL3930203 0.73 HTR2C (0.42) HTR2CALDH1A1LMNATP53SMN1; SMN2

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-1794135-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-06-13 EP disclosed
WO-2006037117-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-04-06 WO disclosed