SCHEMBL6984002

SCHEMBL6984002

CC(C)(C)OC(=O)c1cc(F)ccc1OC(=O)CN

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 3/20 0.38
POLB P06746 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRA6 Q16445 1/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
PAX8 Q06710 1/20 0.37

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
SCHEMBL6723581 0.83 ELANE (0.44) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL3016523 0.83 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1GAAHPGDMEN1
SCHEMBL7319603 0.82 MEN1 (0.47) SMN1; SMN2ALDH1A1GAAHPGDMEN1
SCHEMBL7319596 0.82 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1GAAHPGDMEN1
SCHEMBL6981261 0.81 SLC7A5 (0.37) MEN1KMT2AMAPTKDM4ENR3C2
SCHEMBL22164183 0.77 PKM (0.55) SMN1; SMN2ALDH1A1POLBGABRA1GABRG2
SCHEMBL6984283 0.77 SLC7A5 (0.38) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL6985172 0.76 AR (0.36) MEN1KMT2AKDM4ESLC7A5AAK1
SCHEMBL6582605 0.76 SLC7A5 (0.37) HPGDMEN1KMT2AMAPTKDM4E
SCHEMBL6984597 0.76 KMT2A (0.42) SMN1; SMN2ALDH1A1GAAHPGDKMT2A

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-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
EP-1289953-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-2001096303-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