SCHEMBL8635975

SCHEMBL8635975

NCCC(=O)NCCCOc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 11/20 0.64
TAAR1 Q96RJ0 1/20 0.59
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
HPGD P15428 1/20 0.58
RECQL P46063 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
LMNA P02545 1/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL10829174 0.84 LTA4H (0.68) LTA4HMEN1KMT2ARECQLKDM4E
SCHEMBL10423138 0.84 HPGD (0.64) TAAR1MEN1KMT2AHPGDRECQL
SCHEMBL24976893 0.83 KMT2A (0.54) TAAR1MEN1KMT2AHPGDRECQL
SCHEMBL8935389 0.80 LMNA (0.67) TAAR1RECQLLMNAALDH1A1
SCHEMBL8639333 0.79 LTA4H (0.64) LTA4H
SCHEMBL19185423 0.79 HPGD (0.62) TAAR1MEN1KMT2AHPGDRECQL
SCHEMBL7134887 0.78 LTA4H (0.80) LTA4HMEN1KMT2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL7757373 0.78 RECQL (0.71) TAAR1MEN1KMT2AHPGDRECQL
SCHEMBL8639936 0.78 LTA4H (0.62) LTA4H
SCHEMBL7136224 0.78 LTA4H (1.00) LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5723492-A LTA4 hydrolase inhibitor pharmaceutical compositions and methods of use G.D. SEARLE & CO. (US) 1998-03-03 US disclosed
US-5719306-A ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed