SCHEMBL7425533

SCHEMBL7425533

CC(C)CC(C(=O)O)N(CCc1ccc(C(=O)Nc2ccccc2)cc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.53
HDAC6 Q9UBN7 4/20 0.48
HDAC1 Q13547 3/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
KDM4E B2RXH2 2/20 0.44
POLB P06746 2/20 0.44
DUSP3 P51452 1/20 0.44
PTPN5 P54829 1/20 0.44
PTPN11 Q06124 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
PTPN1 P18031 1/20 0.43
ASF1A Q9Y294 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 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
SCHEMBL7423528 0.88 LMNA (0.49) TRPV1HDAC6HDAC1MEN1KMT2A
SCHEMBL7426638 0.87 ALDH1A1 (0.43) TRPV1HDAC6HDAC1MEN1KMT2A
SCHEMBL7427033 0.84 GRIA2 (0.43) TRPV1MEN1KMT2ANPC1RAB9A
SCHEMBL7426467 0.84 GRIA2 (0.43) TRPV1MEN1KMT2ANPC1RAB9A
SCHEMBL7425045 0.84 TAS1R3 (0.48) HDAC6HDAC1MEN1KMT2APTPN1
SCHEMBL7378945 0.84 MEN1 (0.48) MEN1KMT2ATDP1NPC1RAB9A
SCHEMBL7428493 0.80 L3MBTL1 (0.45) MEN1KMT2ANPC1RAB9APTPN1
SCHEMBL7418698 0.79 MCHR1 (0.41) HDAC6HDAC1
SCHEMBL7417897 0.79 FOLH1 (0.45) MEN1KMT2AKDM4E
SCHEMBL7423137 0.78 FFAR1 (0.48) MEN1KMT2A

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