SCHEMBL10467350

SCHEMBL10467350

CC(=C=O)C(C)Oc1ccc(S(=O)(=O)N=[N+]=[N-])cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 1/20 0.33
▸ TAS1R1 Q7RTX1 1/20 0.33
▸ TAS1R2 Q8TE23 1/20 0.33
▸ F2 P00734 2/20 0.33
▸ PRSS1 P07477 2/20 0.33
▸ PRSS2 P07478 2/20 0.33
▸ PRSS3 P35030 2/20 0.33
▸ MMP2 P08253 2/20 0.31
▸ MMP9 P14780 2/20 0.31
▸ MMP8 P22894 2/20 0.31
▸ MMP13 P45452 2/20 0.31
▸ MMP1 P03956 1/20 0.31
▸ MMP3 P08254 1/20 0.31
▸ MMP7 P09237 1/20 0.31
▸ MMP14 P50281 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ CRHBP P24387 2/20 0.31
▸ CRHR2 Q13324 2/20 0.31

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
SCHEMBL19891714 0.73 CA1 (0.35) MMP2MMP9MMP8MMP13
SCHEMBL10467347 0.73 — —
SCHEMBL14797997 0.72 ALDH1A1 (0.35) MMP13MMP1ALDH1A1LMNAGAA
SCHEMBL1683275 0.72 F2 (0.54) F2PRSS1PRSS2PRSS3MMP2
SCHEMBL26812 0.71 HTT (0.47) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL10823807 0.71 CA1 (0.43) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL10469143 0.69 GPR174 (0.42) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL14805176 0.68 CA12 (0.54) ALDH1A1LMNACYP1A2GAAPKM
SCHEMBL19891667 0.68 CA1 (0.38) MMP2MMP9MMP8MMP13MMP3
SCHEMBL22033289 0.67 HTT (0.42) F2PRSS1PRSS2PRSS3ALDH1A1

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
US-4897144-A Foe silaceous material, metals, alloys, and epoxy reactive polymers HERCULES INCORPORATED (US) 1990-01-30 — — US disclosed
EP-0308860-A2 A new epoxy-azide HERCULES INCORPORATED (US) 1989-03-29 — — EP disclosed
US-4772733-A BONDING AGENT FOR POLYMER AND OTHER MATERIALS HERCULES INCORPORATED (US) 1988-09-20 — — US disclosed
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