SCHEMBL10848429

SCHEMBL10848429

CC(Oc1ccc(Oc2cnc3ccccc3n2)cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 8/20 0.61
▸ ALDH1A1 P00352 5/20 0.61
▸ MEN1 O00255 4/20 0.59
▸ KMT2A Q03164 4/20 0.59
▸ RAB9A P51151 3/20 0.59
▸ NPSR1 Q6W5P4 3/20 0.59
▸ NPC1 O15118 2/20 0.59
▸ HPGD P15428 2/20 0.59
▸ RXFP1 Q9HBX9 2/20 0.59
▸ ATM Q13315 1/20 0.59
▸ CYP1A2 P05177 4/20 0.57
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ LMNA P02545 3/20 0.57
▸ CYP3A4 P08684 2/20 0.57
▸ MAPT P10636 2/20 0.57
▸ TP53 P04637 1/20 0.57
▸ ALOX15 P16050 1/20 0.57
▸ NFKB1 P19838 1/20 0.57
▸ HIF1A Q16665 1/20 0.57
▸ GMNN O75496 1/20 0.57

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
SCHEMBL27259661 1.00 HTT (0.61) HTTALDH1A1MEN1KMT2ARAB9A
SCHEMBL10880238 0.88 ALDH1A1 (0.58) HTTALDH1A1MEN1KMT2ARAB9A
SCHEMBL10906680 0.87 ALDH1A1 (0.73) HTTALDH1A1MEN1KMT2ARAB9A
SCHEMBL10885983 0.87 HTT (0.60) HTTALDH1A1MEN1KMT2ARAB9A
SCHEMBL27259814 0.85 ALDH1A1 (0.61) HTTALDH1A1MEN1KMT2ARAB9A
SCHEMBL30946264 0.85 ALDH1A1 (0.61) HTTALDH1A1MEN1KMT2ARAB9A
SCHEMBL27259736 0.85 ALDH1A1 (0.61) HTTALDH1A1MEN1KMT2ARAB9A
SCHEMBL30946275 0.85 ALDH1A1 (0.61) HTTALDH1A1MEN1KMT2ARAB9A
SCHEMBL18408622 0.85 ALDH1A1 (0.55) HTTALDH1A1MEN1KMT2ARAB9A
SCHEMBL10848461 0.85 HTT (0.58) HTTALDH1A1MEN1KMT2ARAB9A

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
US-4629493-A NONPHYTOTOXIC TO BROAD LEAF PLANTS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1986-12-16 — — US disclosed
US-4609396-A GRASSES IN BROADLEAF CROPS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-09-02 — — US disclosed
EP-0042750-B1 QUINOXALINYLOXY ETHERS AS SELECTIVE WEED CONTROL AGENTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1986-04-30 — — EP disclosed
US-4522647-A Substituted phenoxyalkanediones and their herbicidal method of use ZOECON CORPORATION (US) 1985-06-11 — — US disclosed
EP-0109483-A1 Substituted phenoxyalkane diones, intermediates for these compounds and the use of phenoxyalkane diones in the control of weeds ZOECON CORPORATION (US) 1984-05-30 — — EP disclosed
EP-0042750-A2 Quinoxalinyloxy ethers as selective weed control agents E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-12-30 — — EP disclosed
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