SCHEMBL29026540

SCHEMBL29026540

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.36
FAAH O00519 2/20 0.35
GMNN O75496 2/20 0.35
USP2 O75604 2/20 0.35
CYP1A2 P05177 2/20 0.35
POLB P06746 2/20 0.35
CYP2C9 P11712 2/20 0.35
APEX1 P27695 2/20 0.35
CYP2C19 P33261 2/20 0.35
RECQL P46063 2/20 0.35
BLM P54132 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
PPARG P37231 2/20 0.34
DGKA P23743 1/20 0.34
GPR132 Q9UNW8 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL853121 0.95 CTSK (0.37) CTSKFAAHGMNNUSP2CYP1A2
SCHEMBL853122 0.95 CTSK (0.37) CTSKFAAHGMNNUSP2CYP1A2
SCHEMBL29197061 0.94 CA1 (0.40) CTSKFAAHGMNNUSP2CYP1A2
SCHEMBL852192 0.89 CA2 (0.41) CTSKFAAHGMNNUSP2CYP1A2
SCHEMBL852191 0.89 CA2 (0.41) CTSKFAAHGMNNUSP2CYP1A2
SCHEMBL3433260 0.87 CTSK (0.33) CTSKFAAHGMNNUSP2CYP1A2
SCHEMBL6832950 0.84 TAS1R3 (0.36) CTSKFAAHCYP3A4DGKAMEN1
SCHEMBL6832949 0.84 TAS1R3 (0.36) CTSKFAAHCYP3A4DGKAMEN1
SCHEMBL28146565 0.83 CTSK (0.45) CTSKCYP3A4MEN1KMT2ANPSR1
SCHEMBL5981783 0.82 CA2 (0.44) CTSKCYP3A4FFAR1MEN1KMT2A

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-116348463-A Spiro derivatives of alpha-D-galactopyranoside 爱杜西亚药品有限公司 2023-06-27 CN claimed
CN-116348463-A Spiro derivatives of alpha-D-galactopyranoside 爱杜西亚药品有限公司 2023-06-27 CN disclosed