SCHEMBL28844285

SCHEMBL28844285

CCCC(N)(NCC(=O)O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
THRB P10828 1/20 0.39
KMT2A Q03164 1/20 0.39
FDPS P14324 1/20 0.34
FFAR3 O14843 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
PLA2G2A P14555 1/20 0.32
GGT1 P19440 1/20 0.31
ARG1 P05089 2/20 0.31
ARG2 P78540 2/20 0.31
EGLN1 Q9GZT9 1/20 0.31
NAALAD2 Q9Y3Q0 1/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CTH P32929 1/20 0.30

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
SCHEMBL11282782 0.83 ALDH1A1 (0.42) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL22124576 0.80 FDPS (0.36) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL3818403 0.75 ALDH1A1 (0.35) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL9326112 0.72 FFAR3 (0.33) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL12006238 0.72 ALDH1A1 (0.33) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL11708028 0.72 ALDH1A1 (0.33) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL5803387 0.72 ALDH1A1 (0.33) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL986001 0.71 EGLN1 (0.38) ALDH1A1MEN1KMT2AFFAR3HDAC3
SCHEMBL421124 0.69 ALDH1A1 (0.40) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL1736125 0.68 PLA2G2A (0.44) ALDH1A1MEN1KMT2AFDPSPLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115103896-A Cleaning compositions comprising copolymers and uses thereof 科莱恩国际有限公司 2022-09-23 CN disclosed