SCHEMBL28323271

SCHEMBL28323271

CC=C(CCC)C(=O)OC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
FFAR3 O14843 4/20 0.39
HDAC3 O15379 4/20 0.39
HDAC1 Q13547 4/20 0.39
HDAC2 Q92769 4/20 0.39
HDAC8 Q9BY41 4/20 0.39
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
TSHR P16473 1/20 0.32
AKR1B1 P15121 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL14691626 0.78 TSHR (0.39) ALDH1A1FFAR3HDAC3HDAC1HDAC2
SCHEMBL2229643 0.77 ALDH1A1 (0.39) ALDH1A1FFAR3HDAC3HDAC1HDAC2
SCHEMBL9410921 0.77 ALDH1A1 (0.39) ALDH1A1FFAR3HDAC3HDAC1HDAC2
SCHEMBL16481599 0.76 NPSR1 (0.43) ALDH1A1FFAR3HDAC3HDAC1HDAC2
SCHEMBL28281541 0.76 ALDH1A1 (0.37) ALDH1A1FFAR3HDAC3HDAC1HDAC2
SCHEMBL23093726 0.76 ALDH1A1 (0.37) ALDH1A1FFAR3HDAC3HDAC1HDAC2
SCHEMBL9281644 0.76 NPSR1 (0.43) ALDH1A1FFAR3HDAC3HDAC1HDAC2
Ammonia Solution, Strong SCHEMBL28753786 0.76 ALDH1A1 (0.37) ALDH1A1FFAR3HDAC3HDAC1HDAC2
SCHEMBL20268625 0.74 HCAR2 (0.41) ALDH1A1FFAR3HDAC3HDAC1HDAC2
SCHEMBL3454709 0.74

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
CN-106019829-B Photo-setting and thermosetting resin composition and dry film type solder resist LG CHEM, LTD. (KR) 2019-10-29 CN disclosed
CN-105549324-B Photo-setting and thermosetting resin composition and dry film type solder resist 株式会社LG化学 2019-10-22 CN disclosed