SCHEMBL1381391

SCHEMBL1381391

CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)O.O=C(O)C1CN(S(=O)(=O)c2cccc3cccnc23)CCN1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.41
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.39
GFER P55789 1/20 0.39
GAA P10253 3/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
MCHR1 Q99705 1/20 0.38
LMNA P02545 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FABP1 P07148 1/20 0.38
ATM Q13315 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
SCHEMBL4035476 0.80 HSD11B1 (0.59) HSD11B1ALDH1A1GAAPOLBLMNA
SCHEMBL13886798 0.80 TSHR (0.55) ALDH1A1SMN1; SMN2TSHRGFERGAA
SCHEMBL4032724 0.80 TSHR (0.55) ALDH1A1SMN1; SMN2TSHRGFERGAA
SCHEMBL1384751 0.79 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2TP53TSHRGFER
SCHEMBL4038572 0.79 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2TP53TSHRGFER
SCHEMBL4034926 0.79 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2TP53TSHRGFER
SCHEMBL4041537 0.75 LMNA (0.53) HSD11B1ALDH1A1TP53GAAPOLB
SCHEMBL26673612 0.73 ALDH1A1 (0.52) HSD11B1ALDH1A1GAAHTT
SCHEMBL4036441 0.72 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2TP53TSHRGFER
SCHEMBL4037035 0.72 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2TP53TSHRGFER

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
JP-4825664-B2 2011-11-30 JP claimed