SCHEMBL313331

SCHEMBL313331

C=C(CCC(C)C)c1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAS2R14 Q9NYV8 1/20 0.40
▸ LMNA P02545 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ TSHR P16473 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ NT5E P21589 1/20 0.37
▸ RXRA P19793 1/20 0.37
▸ RXRB P28702 1/20 0.37
▸ RXRG P48443 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TRPA1 O75762 1/20 0.35
▸ CA1 P00915 2/20 0.34
▸ HTT P42858 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CA2 P00918 1/20 0.32

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
SCHEMBL10317353 0.81 LMNA (0.42) LMNATDP1TSHRALDH1A1NT5E
SCHEMBL2374547 0.77 LMNA (0.45) LMNATDP1TSHRALDH1A1NT5E
SCHEMBL23891634 0.75 MAOA (0.47) ALDH1A1SMN1; SMN2POLB
SCHEMBL1238325 0.74 MAOA (0.44) LMNAALDH1A1SMN1; SMN2
SCHEMBL313796 0.73 LMNA (0.38) LMNATDP1TSHRALDH1A1NT5E
SCHEMBL5393460 0.73 HSD17B3 (0.44) TAS2R14LMNATDP1
SCHEMBL1237970 0.72 CYP2D6 (0.44) LMNATDP1ALDH1A1SMN1; SMN2HTT
SCHEMBL13294861 0.72 LMNA (0.43) LMNATSHRALDH1A1NT5ESMN1; SMN2
SCHEMBL23891730 0.72 CYP19A1 (0.39) LMNATSHRALDH1A1TRPA1HTT
SCHEMBL19791086 0.71 MEN1 (0.41) ALDH1A1CA1CA2

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-8093342-B2 Polymer, charge control agent, and toner for developing electrostatic latent images CANON KABUSHIKI KAISHA (JP) 2012-01-10 — — US disclosed
US-20100291482-A1 NOVEL POLYMER, CHARGE CONTROL AGENT, AND TONER FOR DEVELOPING ELECTROSTATIC LATENT IMAGES CANON KABUSHIKI KAISHA (JP) 2010-11-18 — — US disclosed
US-20070117945-A1 NOVEL POLYMER, CHARGE CONTROL AGENT, AND TONER FOR DEVELOPING ELECTROSTATIC LATENT IMAGES CANON KABUSHIKI KAISHA (JP) 2007-05-24 — — US disclosed
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