SCHEMBL29643534

SCHEMBL29643534

NCc1cccc(OB(O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.48
PNMT P11086 1/20 0.44
MAOB P27338 2/20 0.44
LOXL2 Q9Y4K0 3/20 0.43
TAAR1 Q96RJ0 1/20 0.42
NOS1 P29475 5/20 0.41
NOS2 P35228 5/20 0.41
NOS3 P29474 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
NFKB1 P19838 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
F11 P03951 1/20 0.39
ST14 Q9Y5Y6 1/20 0.39
F10 P00742 1/20 0.39

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
SCHEMBL27569009 1.00 ENPP2 (0.48) ENPP2PNMTMAOBLOXL2TAAR1
Hydrochloric Acid SCHEMBL28156681 0.98 ENPP2 (0.47) ENPP2PNMTMAOBLOXL2TAAR1
SCHEMBL1250219 0.82 ENPP2 (0.52) ENPP2MAOBSMN1; SMN2F10
SCHEMBL28016694 0.82 PNMT (0.43) ENPP2PNMTMAOBLOXL2TAAR1
SCHEMBL28069848 0.82 TAAR1 (0.50) MAOBTAAR1F11ST14
SCHEMBL4184944 0.81 TSHR (0.38) MAOBTAAR1ALDH1A1
SCHEMBL7582199 0.81 MAPK1 (0.44) ALDH1A1SMN1; SMN2
SCHEMBL28070668 0.79 ST14 (0.35) ENPP2MAOBF11ST14
SCHEMBL3591237 0.79 ST14 (0.50) MAOBLOXL2F11ST14F10
SCHEMBL27896280 0.79 CYP4F2 (0.57) TAAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120078946-A Bionic nanofiber-hydrogel composite biological scaffold and preparation method and application thereof 中国科学院苏州纳米技术与纳米仿生研究所 2025-06-03 CN claimed
CN-119679691-A Cyclosporine-loaded antioxidant and antibacterial microneedle, and preparation method and application thereof 上海市同仁医院 2025-03-25 CN claimed
CN-112679535-B Small molecule PAD4 inhibitor and preparation method and application thereof 首都医科大学 2022-05-17 CN claimed
CN-120078946-A Bionic nanofiber-hydrogel composite biological scaffold and preparation method and application thereof 中国科学院苏州纳米技术与纳米仿生研究所 2025-06-03 CN disclosed
CN-119679691-A Cyclosporine-loaded antioxidant and antibacterial microneedle, and preparation method and application thereof 上海市同仁医院 2025-03-25 CN disclosed
CN-112679535-B Small molecule PAD4 inhibitor and preparation method and application thereof 首都医科大学 2022-05-17 CN disclosed