SCHEMBL26604646

SCHEMBL26604646

CC(=CCCCc1ccccc1Br)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 1/20 0.49
TBXAS1 P24557 1/20 0.44
TAAR1 Q96RJ0 3/20 0.41
AKR1C3 P42330 1/20 0.40
PPARD Q03181 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
FFAR4 Q5NUL3 2/20 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
SCHEMBL19656187 0.90 GPR52 (0.55) GPR52TBXAS1TAAR1AKR1C3KMT2A
SCHEMBL1574137 0.80 HDAC3 (0.48) TBXAS1AKR1C3HDAC3HDAC4HDAC1
SCHEMBL443151 0.80 HDAC3 (0.48) TBXAS1AKR1C3HDAC3HDAC4HDAC1
SCHEMBL4667862 0.80 HDAC3 (0.48) TBXAS1AKR1C3HDAC3HDAC4HDAC1
SCHEMBL22129607 0.79 HRH1 (0.48) TBXAS1PPARDFFAR4FFAR1RIPK1
SCHEMBL445601 0.76 TBXAS1 (0.50) TBXAS1AKR1C3HDAC3HDAC4HDAC1
SCHEMBL813333 0.76 TBXAS1 (0.50) TBXAS1AKR1C3HDAC3HDAC4HDAC1
SCHEMBL5182214 0.75 TAAR1 (0.47) GPR52TAAR1HDAC3HDAC4HDAC1
SCHEMBL22129634 0.75 HRH1 (0.47) TBXAS1PPARDFFAR4FFAR1RIPK1
SCHEMBL824824 0.74 TAAR1 (0.50) GPR52TAAR1HDAC3HDAC4HDAC1

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-2023203845-A1 COMPOSITION AND PHOTOSENSITIVE COMPOSITION 東京応化工業株式会社 2023-10-26 WO disclosed
WO-2023203837-A1 COMPOSITION AND PHOTOSENSITIVE COMPOSITION 東京応化工業株式会社 2023-10-26 WO disclosed