SCHEMBL9705680

SCHEMBL9705680

CC(C)(C)OC(=O)N1[C@@H](CC2CCCCC2)[C@H]([C@H](C=Cc2ccccn2)OCc2ccccc2)OC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.34
YAP1 P46937 3/20 0.33
KLK7 P49862 1/20 0.33
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
GPR119 Q8TDV5 1/20 0.31
REN P00797 3/20 0.31
GAA P10253 1/20 0.31
THRB P10828 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 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
SCHEMBL9705697 0.80 GRIN2B (0.34) CTSLYAP1KLK7HTR2CSLC6A4
SCHEMBL9556587 0.77 CTSL (0.39) CTSLKLK7HTR2CMEN1KMT2A
SCHEMBL7542372 0.74 IL6ST (0.40) CTSLKLK7REN
SCHEMBL7542380 0.74 IL6ST (0.40) CTSLKLK7REN
SCHEMBL7542377 0.74 IL6ST (0.40) CTSLKLK7REN
SCHEMBL7395740 0.73 REN (0.39) GPR119REN
SCHEMBL10595540 0.73 REN (0.39) GPR119REN
SCHEMBL10595542 0.73 REN (0.39) GPR119REN
SCHEMBL9845923 0.73 GPR119 (0.37) CTSLMEN1KMT2ACTSSGPR119
SCHEMBL7344330 0.73 SPHK1 (0.34) CTSS

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