SCHEMBL20121824

SCHEMBL20121824

COC1C(N)CC(CO)C1O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SI P14410 3/20 0.55
MGAM O43451 2/20 0.33
GAA P10253 1/20 0.33
GBA1 P04062 2/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
OGA O60502 1/20 0.31
GJA1 P17302 1/20 0.31
GJB2 P29033 1/20 0.31
MEN1 O00255 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
FUCA1 P04066 3/20 0.30
LMNA P02545 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALOX15 P16050 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
Hydrochloric Acid SCHEMBL25307334 0.98 SI (0.53) SIMGAMGAAGBA1IRAK4
SCHEMBL10248617 0.83 SI (0.43) SI
SCHEMBL20776236 0.78 FUCA1 (0.37) GJA1GJB2MEN1CYP2C9TSHR
SCHEMBL20776182 0.78 FUCA1 (0.37) GJA1GJB2MEN1CYP2C9TSHR
SCHEMBL14325048 0.78 SI (0.38) SIMGAMGBA1IRAK4OGA
SCHEMBL12647090 0.74 FUCA1 (0.44) SIFUCA1
SCHEMBL25736227 0.74 FUCA1 (0.44) SIFUCA1
SCHEMBL20677471 0.73 SI (0.95) SIMGAMGAAGBA1OGA
SCHEMBL19184695 0.73 SI (0.95) SIMGAMGAAGBA1OGA
SCHEMBL6746292 0.73 SI (0.95) SIMGAMGAAGBA1OGA

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-9963456-B2 Pyrrolopyrimidine compound or salt thereof and compositions containing the pyrrolopyrimidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD (JP) 2018-05-08 US disclosed