SCHEMBL7156629

SCHEMBL7156629

COC(C)(CC1CO1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
TDP1 Q9NUW8 1/20 0.41
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.39
PPARG P37231 1/20 0.39
HIF1A Q16665 1/20 0.39
GLA P06280 1/20 0.38
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.35
CES1 P23141 1/20 0.35
CHRM2 P08172 3/20 0.34
CHRM4 P08173 3/20 0.34
CHRM5 P08912 3/20 0.34
CHRM1 P11229 3/20 0.34
CHRM3 P20309 3/20 0.34

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
SCHEMBL9721652 0.83 ALDH1A1 (0.41) MEN1KMT2ATP53MAPTHPGD
SCHEMBL335115 0.80 MEN1 (0.43) MEN1KMT2ATDP1TP53MAPT
SCHEMBL11589267 0.79 KMT2A (0.43) MEN1KMT2ATDP1TP53MAPT
SCHEMBL7151905 0.75 MEN1 (0.47) MEN1KMT2ATDP1TP53MAPT
SCHEMBL25359833 0.74 MEN1 (0.45) MEN1KMT2ATDP1TP53MAPT
SCHEMBL3319132 0.74 MEN1 (0.45) MEN1KMT2ATDP1TP53MAPT
SCHEMBL16492411 0.74 MEN1 (0.45) MEN1KMT2ATDP1TP53MAPT
SCHEMBL10816039 0.71 MEN1 (0.44) MEN1KMT2ATDP1TP53MAPT
SCHEMBL8314455 0.71 MAPK1 (0.44) MEN1KMT2ATSHRALDH1A1HIF1A
SCHEMBL1774346 0.71 MAPK1 (0.44) MEN1KMT2ATSHRALDH1A1HIF1A

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
US-6528531-B1 Coccidiosis in poultry; MERCK & CO., INC. 2003-03-04 US disclosed