SCHEMBL7426644

SCHEMBL7426644

CC(C)CC(NCC(C(=O)O)c1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRN P28799 3/20 0.50
SORT1 Q99523 3/20 0.50
MAPK1 P28482 1/20 0.45
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CA2 P00918 3/20 0.40
CA1 P00915 2/20 0.40
POLB P06746 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.39
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAOB P27338 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL7423535 0.88 SMN1; SMN2 (0.44) GRNSORT1MAPK1MEN1KMT2A
SCHEMBL7425540 0.86 DGAT1 (0.47) MEN1KMT2APOLBALDH1A1NR1H4
SCHEMBL7419482 0.83 GRN (0.49) GRNSORT1MAPK1POLBALDH1A1
SCHEMBL7419023 0.81 GRN (0.47) GRNSORT1MAPK1POLBKDM4E
SCHEMBL7426474 0.80 GRIA2 (0.52) GRNSORT1MEN1KMT2AMAPT
SCHEMBL7427045 0.80 GRIA2 (0.52) GRNSORT1MEN1KMT2AMAPT
SCHEMBL7425053 0.80 CA2 (0.50) GRNSORT1MEN1KMT2ACA2
SCHEMBL7428201 0.80 GRN (0.46) GRNSORT1MAPK1MAPTALDH1A1
SCHEMBL7424624 0.80 GRN (0.44) GRNSORT1MAPK1MEN1KMT2A
SCHEMBL5869935 0.78 GRN (0.52) GRNSORT1MAPK1CA2CA1

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-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO claimed
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO disclosed