SCHEMBL31430328

SCHEMBL31430328

CC1(C)OB(c2ccc3c(c2)OC2(CCC2)O3)OC1(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ MITF O75030 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ LPL P06858 13/20 0.41
▸ LIPG Q9Y5X9 13/20 0.41
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA3 P07451 1/20 0.36
▸ CA4 P22748 1/20 0.36
▸ CA6 P23280 1/20 0.36
▸ CA5A P35218 1/20 0.36

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
SCHEMBL15614859 0.84 TSHR (0.48) LPLLIPGCA1CA2CA9
SCHEMBL1230718 0.78 LPL (0.47) LPLLIPGCA1CA2CA9
SCHEMBL10074112 0.75 LPL (0.48) LPLLIPGCA1CA2CA9
SCHEMBL10074115 0.75 LPL (0.48) LPLLIPGCA1CA2CA9
SCHEMBL15335321 0.75 LPL (0.42) SMN1; SMN2ALDH1A1LPLLIPGCA1
SCHEMBL25335749 0.75 KMT2A (0.46) MAPTMEN1GAAKMT2ASMN1; SMN2
SCHEMBL30514942 0.75 KMT2A (0.46) MAPTMEN1GAAKMT2ASMN1; SMN2
SCHEMBL30544472 0.75 LPL (0.44) TDP1ALDH1A1LPLLIPGCA1
SCHEMBL3148663 0.75 LPL (0.44) TDP1ALDH1A1LPLLIPGCA1
SCHEMBL29634547 0.75 LPL (0.44) MAPTGAAKDM4ELPLLIPG

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-2025092818-A1 PYRIDINE DERIVATIVE AND USE THEREOF IN MEDICINE 康百达(四川)生物医药科技有限公司 2025-05-08 — — WO disclosed
CN-119462695-A Pyridine derivative and application thereof 康百达(四川)生物医药科技有限公司 2025-02-18 — — CN disclosed
Send feedback