SCHEMBL10879803

SCHEMBL10879803

Cc1cc(=O)oc2cc(NCC(=O)O)ccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.67
▸ KDM4E B2RXH2 6/20 0.67
▸ HPGD P15428 4/20 0.67
▸ GAA P10253 2/20 0.67
▸ GLA P06280 1/20 0.67
▸ CA12 O43570 4/20 0.65
▸ CA9 Q16790 4/20 0.65
▸ CA4 P22748 1/20 0.65
▸ CA1 P00915 3/20 0.64
▸ HSD17B10 Q99714 2/20 0.64
▸ MEN1 O00255 1/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ RAB9A P51151 3/20 0.61
▸ SMN1; SMN2 Q16637 3/20 0.61
▸ NPC1 O15118 2/20 0.61
▸ LMNA P02545 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ ALB P02768 4/20 0.60
▸ MAOB P27338 1/20 0.60
▸ TDP1 Q9NUW8 1/20 0.56

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
SCHEMBL8609989 0.85 ALDH1A1 (0.71) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL22501612 0.85 CA12 (0.64) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL30228426 0.84 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL29673209 0.82 CA12 (0.72) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL1034943 0.82 CA12 (0.72) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL8513693 0.82 CA12 (0.81) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL8620142 0.82 CA12 (0.67) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL19026763 0.81 CA12 (0.70) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL8612401 0.81 CA12 (0.55) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL9351898 0.81 CA12 (0.55) ALDH1A1KDM4EHPGDGAAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0006271-B2 WASHING AND SOFTENING COMPOSITIONS CONTAINING NONIONIC BRIGHTENER THE PROCTER & GAMBLE COMPANY (US) 1986-01-22 — — EP disclosed
EP-0006271-B1 WASHING AND SOFTENING COMPOSITIONS CONTAINING NONIONIC BRIGHTENER THE PROCTER & GAMBLE COMPANY (US) 1982-03-31 — — EP disclosed
EP-0006271-A1 Washing and softening compositions containing nonionic brightener THE PROCTER & GAMBLE COMPANY (US) 1980-01-09 — — EP disclosed
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