SCHEMBL12654239

SCHEMBL12654239

C[C@H](NC(C)(C)Cc1ccc(O)cc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
ESR1 P03372 3/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
OPRK1 P41145 4/20 0.43
OPRM1 P35372 2/20 0.43
OPRD1 P41143 2/20 0.43
LMNA P02545 1/20 0.43
CYP2D6 P10635 1/20 0.43
ESR2 Q92731 2/20 0.42
TSHR P16473 1/20 0.42
BLM P54132 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TRPA1 O75762 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL22845470 0.86 OPRK1 (0.47) MEN1KMT2AOPRK1OPRM1LMNA
SCHEMBL22845474 0.82 SMN1; SMN2 (0.44) OPRK1LMNACYP2D6SMN1; SMN2TRPA1
SCHEMBL12672377 0.81 ESR1 (0.46) MMP9MMP8ESR1MEN1KMT2A
SCHEMBL12672526 0.80 BLM (0.46) MMP9MMP8ESR1MEN1KMT2A
SCHEMBL14469645 0.74 OPRK1 (0.47) MEN1KMT2AOPRK1OPRM1LMNA
SCHEMBL7176489 0.73 SMN1; SMN2 (0.70) MMP9MMP8MEN1KMT2AOPRK1
SCHEMBL4424042 0.73 SMN1; SMN2 (0.70) MMP9MMP8MEN1KMT2AOPRK1
SCHEMBL9089267 0.73 SMN1; SMN2 (0.70) MMP9MMP8MEN1KMT2AOPRK1
SCHEMBL9135588 0.73 LMNA (0.57) MMP8OPRK1OPRM1OPRD1LMNA
SCHEMBL10087162 0.72 LMNA (0.61) MMP8OPRK1OPRM1OPRD1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011053835-A1 STEREOSELECTIVE SYNTHESIS OF METYROSINE ATON PHARMA, INC. (US) 2011-05-05 WO disclosed