SCHEMBL6984281

SCHEMBL6984281

CC(C)(C)OC(=O)c1c(C#N)cccc1OC(=O)CN

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
AR P10275 6/20 0.36
TSHR P16473 2/20 0.36
HPGD P15428 1/20 0.36
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
MAOA P21397 1/20 0.35
HTR2B P41595 1/20 0.35
SLC7A5 Q01650 1/20 0.35
NR3C2 P08235 2/20 0.35
GAA P10253 1/20 0.34
AAK1 Q2M2I8 2/20 0.33

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
SCHEMBL6981189 0.81 SLC7A5 (0.37) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL6984597 0.81 KMT2A (0.42) SMN1; SMN2ALDH1A1KDM4ETP53HPGD
SCHEMBL6984974 0.79 SLC6A3 (0.40) ALDH1A1KDM4ETSHRHPGDSLC7A5
SCHEMBL6723581 0.74 ELANE (0.44) ALDH1A1KDM4ENPSR1TSHRHPGD
SCHEMBL6977356 0.74 MRGPRX1 (0.35) ALDH1A1KDM4EHPGDSLC7A5GRM6
SCHEMBL6984283 0.74 SLC7A5 (0.38) ALDH1A1KDM4EARSLC7A5GAA
SCHEMBL6981261 0.73 SLC7A5 (0.37) KDM4ENPSR1ARTSHRSLC7A5
SCHEMBL6582605 0.73 SLC7A5 (0.37) KDM4ENPSR1ARHPGDSLC7A5
SCHEMBL6985192 0.72 KMT2A (0.42) SMN1; SMN2ALDH1A1KDM4ENPC1TP53
SCHEMBL6986429 0.72 MCHR1 (0.39) SMN1; SMN2ALDH1A1NPC1TP53RAB9A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1289950-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
EP-1289953-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
EP-1289954-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
EP-1289972-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096304-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed
WO-2001096323-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed
WO-2001096296-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed
WO-2001096303-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed