SCHEMBL28985652

SCHEMBL28985652

O=CCc1ccc(CO)o1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.57
TSHR P16473 2/20 0.57
TDP1 Q9NUW8 2/20 0.47
KDM4E B2RXH2 4/20 0.35
MAPT P10636 2/20 0.35
CYP2A6 P11509 1/20 0.34
CYP2C19 P33261 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
G6PC1 P35575 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL25180895 0.88 ALDH1A1 (0.39) ALDH1A1TSHRTDP1
SCHEMBL183551 0.80
SCHEMBL6423160 0.77 ALDH1A1 (0.47) ALDH1A1TSHRTDP1KDM4EMAPT
SCHEMBL2288494 0.77 MEN1 (0.36) ALDH1A1TSHRMAPTSMN1; SMN2NPC1
SCHEMBL31590947 0.77
SCHEMBL30688993 0.77 ALDH1A1 (0.54) ALDH1A1TSHRTDP1KDM4EMAPT
SCHEMBL29111193 0.77 ALDH1A1 (0.54) ALDH1A1TSHRTDP1KDM4EMAPT
Aes-103 SCHEMBL17872171 0.76 ALDH1A1 (0.96) ALDH1A1TSHRTDP1KDM4EMAPT
SCHEMBL11814808 0.74 ALDH1A1 (0.44) ALDH1A1TSHRTDP1KDM4EMAPT
SCHEMBL1647691 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118576784-B Coating balloon and preparation method thereof 天津医科大学第二医院 2024-11-22 CN claimed
CN-118576784-A Coating balloon and preparation method thereof 天津医科大学第二医院 2024-09-03 CN claimed
CN-118576784-B Coating balloon and preparation method thereof 天津医科大学第二医院 2024-11-22 CN disclosed
CN-118576784-A Coating balloon and preparation method thereof 天津医科大学第二医院 2024-09-03 CN disclosed
CN-115960060-A Method for preparing 2, 5-furandimethanol 湖南师范大学 2023-04-14 CN disclosed