SCHEMBL4414950

SCHEMBL4414950

CC(=O)NCC(C)CCCCCC1C(NC(=O)OC(C)(C)C)CC(C(=O)O)C1O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.34
▸ KMT2A Q03164 2/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ KDM1A O60341 1/20 0.30
▸ HDAC4 P56524 1/20 0.30
▸ HDAC1 Q13547 1/20 0.30
▸ HDAC6 Q9UBN7 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
SCHEMBL7230775 0.80 BTK (0.37) BTKKMT2AMEN1GAAKDM1A
SCHEMBL28824431 0.80 BTK (0.40) BTKKMT2AKDM1A
SCHEMBL3247380 0.80 BTK (0.40) BTKKMT2AKDM1A
SCHEMBL7219065 0.80 BTK (0.40) BTKKMT2AKDM1A
SCHEMBL7232935 0.79 — —
SCHEMBL4423884 0.78 GABRR1 (0.32) —
Hydrochloric Acid SCHEMBL4412458 0.77 GABRR1 (0.31) —
SCHEMBL28670997 0.77 TDP1 (0.38) KMT2AMEN1GAAKDM1A
SCHEMBL28673858 0.71 KDM1A (0.32) BTKKDM1A
SCHEMBL28673857 0.71 KDM1A (0.32) BTKKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1040094-B9 SUBSTITUTED CYCLOPENTANE AND CYCLOPENTENE COMPOUNDS USEFUL AS NEURAMINIDASE INHIBITORS BIOCRYST PHARM INC (US) 2015-09-09 — — EP claimed
EP-1040094-B1 SUBSTITUTED CYCLOPENTANE AND CYCLOPENTENE COMPOUNDS USEFUL AS NEURAMINIDASE INHIBITORS BIOCRYST PHARM INC (US) 2009-03-18 — — EP claimed
US-6562861-B1 (1R,3R,4R,1'S)-(-)-(1'-acetylamino-2 '-ethyl)butyl-4-(aminoimino)methylaminocyclopentan-1-carboxylic acid was prepd. and tested in vitro as neuraminidase inhibitor (IC50 less-than 1.mu.M). Bactericides or viricides BIOCRYST PHARMACEUTICALS, INC. 2003-05-13 — — US claimed
EP-1040094-B9 SUBSTITUTED CYCLOPENTANE AND CYCLOPENTENE COMPOUNDS USEFUL AS NEURAMINIDASE INHIBITORS BIOCRYST PHARM INC (US) 2015-09-09 — — EP disclosed
EP-1040094-B1 SUBSTITUTED CYCLOPENTANE AND CYCLOPENTENE COMPOUNDS USEFUL AS NEURAMINIDASE INHIBITORS BIOCRYST PHARM INC (US) 2009-03-18 — — EP disclosed
US-6562861-B1 (1R,3R,4R,1'S)-(-)-(1'-acetylamino-2 '-ethyl)butyl-4-(aminoimino)methylaminocyclopentan-1-carboxylic acid was prepd. and tested in vitro as neuraminidase inhibitor (IC50 less-than 1.mu.M). Bactericides or viricides BIOCRYST PHARMACEUTICALS, INC. 2003-05-13 — — US disclosed
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