SCHEMBL13728832

SCHEMBL13728832

CCN(CC(=O)O)C(N)(CC(=O)O)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 3/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 2/20 0.33
CYP1A2 P05177 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
THRB P10828 1/20 0.33
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32

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
SCHEMBL8643583 0.73 KDM4E (0.41) TSHRCYP2D6CYP2C19HIF1AKDM4E
SCHEMBL27906618 0.73 TSHR (0.42) TSHRCYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL997630 0.72 ALDH1A1 (0.37) TSHRCYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL2775453 0.72 FDPS (0.37) TSHRALDH1A1MEN1CYP1A2KMT2A
SCHEMBL1126526 0.71 ADRA1A (0.48) TSHRCYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL28253558 0.70 MEN1 (0.35) TSHRCYP2C19ALDH1A1KDM4ELMNA
SCHEMBL364358 0.70 MEN1 (0.35) TSHRCYP2C19ALDH1A1KDM4ELMNA
SCHEMBL3871128 0.70 FFAR3 (0.36) TSHRCYP2D6CYP2C19HIF1AKDM4E
SCHEMBL9451184 0.70 FFAR3 (0.36) TSHRCYP2C19KDM4ELMNAALOX15
SCHEMBL7611993 0.69 TSHR (0.36) TSHRCYP2D6CYP2C19HIF1AALDH1A1

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
EP-2704793-A1 REGULATION OF AMYLOID BETA MOLECULAR COMPOSITION FOR THE TREATMENT OF ALZHEIMER'S DISEASE Ramot at Tel Aviv University, Ltd. (IL) 2014-03-12 EP disclosed
WO-2012150600-A2 REGULATION OF AMYLOID BETA MOLECULAR COMPOSITION FOR THE TREATMENT OF ALZHEIMER'S DISEASE RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2012-11-08 WO disclosed