SCHEMBL7728997

SCHEMBL7728997

O=C(Cl)CCC(CCC(CCC(=O)Cl)([N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
LMNA P02545 2/20 0.30
MEN1 O00255 1/20 0.30
BLM P54132 1/20 0.30
HBB P68871 1/20 0.30
KMT2A Q03164 1/20 0.30
HIF1A Q16665 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
SCHEMBL9541075 0.98 TSHR (0.35) TSHRALDH1A1TP53LMNAMEN1
SCHEMBL9420196 0.86 TSHR (0.36) TSHRALDH1A1TP53LMNAMEN1
SCHEMBL9420217 0.77 TSHR (0.33) TSHRALDH1A1TP53LMNAMEN1
SCHEMBL3998009 0.76 LMNA (0.48) TSHRALDH1A1LMNAMEN1BLM
SCHEMBL9333204 0.76 ALDH1A1 (0.46) TSHRALDH1A1TP53
SCHEMBL6523952 0.71 TSHR (0.38) TSHRALDH1A1TP53
SCHEMBL8355142 0.70 MEN1 (0.38) TSHRALDH1A1LMNAMEN1BLM
SCHEMBL9149729 0.67 LMNA (0.48) TSHRALDH1A1LMNA
SCHEMBL15494056 0.67 LMNA (0.42) TSHRALDH1A1LMNA
SCHEMBL9115719 0.67 ALDH1A1 (0.38) TSHRALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015479-A4 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC MACROCYCLES AND PROCESSES THEREFOR LILLY CO ELI (US) 2002-07-24 EP disclosed
EP-1015479-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC MACROCYCLES AND PROCESSES THEREFOR ELI LILLY AND COMPANY (US) 2000-07-05 EP disclosed
EP-0973936-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS ELI LILLY AND COMPANY (US) 2000-01-26 EP disclosed
US-5942387-A Combinatorial process for preparing substituted thiophene libraries ELI LILLY AND COMPANY (US) 1999-08-24 US disclosed
WO-1998057173-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED PHENYLALANINE LIBRARIES ELI LILLY AND COMPANY (US) 1998-12-17 WO disclosed
EP-0880558-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED INDANE LIBRARIES ELI LILLY AND COMPANY (US) 1998-12-02 EP disclosed
WO-1998046631-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC MACROCYCLES AND PROCESSES THEREFOR ELI LILLY AND COMPANY (US) 1998-10-22 WO disclosed
WO-1998046786-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS ELI LILLY AND COMPANY (US) 1998-10-22 WO disclosed
WO-1998008813-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED PYRROLIDINE LIBRARIES ELI LILLY AND COMPANY (US) 1998-03-05 WO disclosed
EP-0825164-A2 Scavenger assisted combinatorial process for preparing libraries of amides, carbamates and sulfonamides ELI LILLY AND COMPANY (US) 1998-02-25 EP disclosed
WO-1997026300-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED INDANE LIBRARIES ELI LILLY AND COMPANY (US) 1997-07-24 WO disclosed