SCHEMBL9705697

SCHEMBL9705697

CC(C)(C)OC(=O)N1[C@@H](CC2CCCCC2)[C@H]([C@@H](OCc2ccccc2)c2nccs2)OC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.34
KLK7 P49862 1/20 0.33
CNR1 P21554 3/20 0.33
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
YAP1 P46937 3/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
GAA P10253 1/20 0.32
THRB P10828 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GPR119 Q8TDV5 1/20 0.31

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
SCHEMBL9706174 0.85 CNR1 (0.35) CNR1NPC1POLBGPR119
SCHEMBL9705680 0.80 CTSL (0.34) KLK7HTR2CSLC6A4YAP1GAA
SCHEMBL9705655 0.78 POLB (0.35) MEN1KMT2APOLBGPR119
SCHEMBL9556587 0.77 CTSL (0.39) KLK7HTR2CMEN1KMT2ACTSL
SCHEMBL7542372 0.74 IL6ST (0.40) KLK7CTSL
SCHEMBL7542377 0.74 IL6ST (0.40) KLK7CTSL
SCHEMBL7542380 0.74 IL6ST (0.40) KLK7CTSL
SCHEMBL10595542 0.74 REN (0.39) NPC1RAB9AGPR119
SCHEMBL10595540 0.74 REN (0.39) NPC1RAB9AGPR119
SCHEMBL7395740 0.74 REN (0.39) NPC1RAB9AGPR119

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
EP-0487980-A1 Aminodiols-derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1992-06-03 EP disclosed