SCHEMBL31424468

SCHEMBL31424468

CCOC(=O)c1cc2cc(C3=CCOC(C)(C)C3)ccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 9/20 0.55
▸ MMP2 P08253 6/20 0.55
▸ MMP14 P50281 4/20 0.55
▸ KDM4E B2RXH2 3/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ HPGD P15428 3/20 0.54
▸ RAB9A P51151 3/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ NPC1 O15118 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ HTT P42858 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ HRH3 Q9Y5N1 1/20 0.51
▸ MEN1 O00255 1/20 0.50
▸ GLA P06280 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ ATM Q13315 1/20 0.50

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
SCHEMBL31424332 1.00 MMP13 (0.55) MMP13MMP2MMP14KDM4EALDH1A1
SCHEMBL31424367 0.82 KDM4E (0.45) MMP13MMP2MMP14KDM4EALDH1A1
SCHEMBL23749652 0.81 MMP13 (0.57) MMP13MMP2MMP14KDM4EALDH1A1
SCHEMBL30216943 0.81 MMP13 (0.57) MMP13MMP2MMP14KDM4EALDH1A1
SCHEMBL31472052 0.77 ALDH1A1 (0.38) MMP13MMP2MMP14KDM4EALDH1A1
SCHEMBL16306719 0.75 MMP13 (0.58) MMP13MMP2MMP14KDM4EALDH1A1
SCHEMBL419130 0.74 MMP13 (0.77) MMP13MMP2MMP14KDM4EALDH1A1
SCHEMBL3500194 0.73 MMP13 (0.75) MMP13MMP2MMP14KDM4EALDH1A1
SCHEMBL25024764 0.72 MMP13 (0.78) MMP13MMP2MMP14KDM4EALDH1A1
SCHEMBL31619711 0.72 KDM4E (0.58) MMP13MMP2MMP14KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119431365-A Phenyl heterocyclic derivative-containing regulator and preparation method and application thereof 江苏豪森药业集团有限公司 2025-02-14 — — CN disclosed
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