SCHEMBL7740151

SCHEMBL7740151

N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.59
MEN1 O00255 1/20 0.59
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.59
HPGD P15428 1/20 0.59
HTT P42858 1/20 0.59
KMT2A Q03164 1/20 0.59
CTSL P07711 1/20 0.45
KDM1A O60341 9/20 0.44
MAOA P21397 7/20 0.44
RCOR1 Q9UKL0 3/20 0.44
KDM1B Q8NB78 1/20 0.44
SIRT5 Q9NXA8 4/20 0.44
SIRT1 Q96EB6 2/20 0.44
NPY4R P50391 1/20 0.44
MAOB P27338 2/20 0.43
F2 P00734 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43

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
SCHEMBL7541299 0.97 KDM4E (0.56) KDM4EMEN1ALDH1A1LMNAHPGD
SCHEMBL7934318 0.93 ALDH1A1 (0.51) KDM4EMEN1ALDH1A1LMNAHPGD
SCHEMBL1842451 0.90 SIRT2 (0.46) KDM4EMEN1ALDH1A1LMNAHPGD
SCHEMBL29374941 0.90 SIRT2 (0.46) KDM4EMEN1ALDH1A1LMNAHPGD
Hydrochloric Acid SCHEMBL31754825 0.90 SIRT2 (0.46) KDM4EMEN1ALDH1A1LMNAHPGD
Hydrochloric Acid SCHEMBL1723683 0.90 SIRT2 (0.46) KDM4EMEN1ALDH1A1LMNAHPGD
SCHEMBL11165484 0.89 ALDH1A1 (0.50) KDM4EMEN1ALDH1A1LMNAHPGD
SCHEMBL11168545 0.88 MEN1 (0.47) KDM4EMEN1ALDH1A1LMNAHPGD
SCHEMBL8550832 0.88 MEN1 (0.46) KDM4EMEN1ALDH1A1LMNAHPGD
SCHEMBL4727432 0.87 SIRT2 (0.49) SIRT5SIRT1SIRT2

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
WO-2000063350-A9 CYSTEINE PROTEASE AND INHIBITORS FOR PREVENTION AND TREATMENT OF NEUROCYSTICEROCOSIS UNIV GEORGIA RES FOUND (US) 2002-06-13 WO disclosed
WO-2000063350-A2 CYSTEINE PROTEASE AND INHIBITORS FOR PREVENTION AND TREATMENT OF NEUROCYSTICEROCOSIS THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2000-10-26 WO disclosed