SCHEMBL30423955

SCHEMBL30423955

CCCC(CCC(=O)O)C[13C](=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
FFAR3 O14843 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
GABRP O00591 2/20 0.43
GABRD O14764 2/20 0.43
GABRA1 P14867 2/20 0.43
GABRB1 P18505 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRA2 P47869 2/20 0.43
GABRB2 P47870 2/20 0.43
GABRA4 P48169 2/20 0.43
GABRE P78334 2/20 0.43
GABRA6 Q16445 2/20 0.43
GABRG1 Q8N1C3 2/20 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
SCHEMBL10557994 1.00 FOLH1 (0.46) FOLH1HDAC1HDAC2FFAR3HDAC3
SCHEMBL967149 0.91 ADRA1A (0.48) FOLH1HDAC1HDAC2FFAR3HDAC3
SCHEMBL11294180 0.88 ADRA1A (0.46) FOLH1HDAC1HDAC2FFAR3HDAC3
SCHEMBL6690683 0.88 HDAC1 (0.52) HDAC1HDAC2FFAR3HDAC3HDAC8
SCHEMBL11852150 0.88 HDAC1 (0.52) HDAC1HDAC2FFAR3HDAC3HDAC8
SCHEMBL3659066 0.88 FOLH1 (0.56) FOLH1GABRPGABRDGABRA1GABRB1
SCHEMBL9541899 0.87 ALDH1A1 (0.48) ALDH1A1TDP1AKR1B1GPR84FFAR4
SCHEMBL3585505 0.87 CA2 (0.50) ALDH1A1TDP1AKR1B1GPR84FFAR4
SCHEMBL11294146 0.86 HDAC1 (0.50) HDAC1HDAC2FFAR3HDAC3HDAC8
SCHEMBL1335604 0.85 ADRA1A (0.48) FOLH1HDAC1HDAC2FFAR3HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116375986-B All-wood cellulose-based polyester and preparation method thereof 广西科学院 2024-04-02 CN disclosed
CN-116375986-A All-wood cellulose-based polyester and preparation method thereof 广西科学院 2023-07-04 CN disclosed
CN-116143607-A Method for preparing lignin-based 3-ethyl adipic acid or 3-propyl adipic acid 广西科学院 2023-05-23 CN disclosed