SCHEMBL7326474

SCHEMBL7326474

COC(=O)C(NC(=O)C(NC(=O)C1CCCC1)(C(C)C)[C@H](O)[C@H](N)CC1CCCCC1)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
METAP2 P50579 6/20 0.35
HPGD P15428 1/20 0.34
REN P00797 2/20 0.33
METAP1 P53582 3/20 0.33
PADI1 Q9ULC6 1/20 0.32
PADI4 Q9UM07 1/20 0.32
PSMB5 P28074 1/20 0.31
CHRNB2 P17787 3/20 0.31
CHRNB4 P30926 3/20 0.31
CHRNA3 P32297 3/20 0.31
CHRNA4 P43681 3/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRM1 Q13255 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPK1 P28482 1/20 0.30

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
SCHEMBL7330442 0.82 ANPEP (0.45) PSMB5MEN1KMT2A
SCHEMBL7331112 0.72 CTSD (0.43) MEN1KMT2A
SCHEMBL7325941 0.67 BACE1 (0.44) TSHRMETAP2HPGDRENMETAP1
SCHEMBL7359932 0.67 METAP2 (0.51) METAP2RENMETAP1
SCHEMBL8175196 0.67 METAP2 (0.55) METAP2RENMETAP1
SCHEMBL7328407 0.67 METAP2 (0.55) METAP2RENMETAP1
Hydrochloric Acid SCHEMBL9514519 0.65 METAP2 (0.53) METAP2RENMETAP1
Hydrochloric Acid SCHEMBL9514516 0.65 METAP2 (0.53) METAP2RENMETAP1
SCHEMBL10378262 0.64 TSHR (0.52) TSHRHPGDPADI1PADI4PSMB5
SCHEMBL27282300 0.64 TSHR (0.52) TSHRHPGDPADI1PADI4PSMB5

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-0352000-A2 Retroviral protease binding peptides SMITHKLINE BEECHAM CORPORATION (US) 1990-01-24 EP disclosed