SCHEMBL27949852

SCHEMBL27949852

O=S(=O)(O)c1ccc(OCF)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ TSHR P16473 3/20 0.45
▸ NT5E P21589 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ CA12 O43570 7/20 0.41
▸ CA1 P00915 7/20 0.41
▸ CA2 P00918 7/20 0.41
▸ CA7 P43166 7/20 0.41
▸ CA9 Q16790 7/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ PTPRZ1 P23471 1/20 0.41
▸ POLB P06746 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CA4 P22748 1/20 0.38

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
SCHEMBL12743793 0.83 CA12 (0.50) LMNAALDH1A1TSHRNT5ESMN1; SMN2
SCHEMBL2514599 0.82 CA12 (0.47) LMNAALDH1A1TSHRNT5ECA12
SCHEMBL18624978 0.81 CA12 (0.53) LMNAALDH1A1TSHRNT5ESMN1; SMN2
SCHEMBL27577527 0.79 ALDH1A1 (0.50) LMNAALDH1A1TSHRNT5ESMN1; SMN2
SCHEMBL10500839 0.79 LMNA (0.46) LMNAALDH1A1TSHRNT5ESMN1; SMN2
SCHEMBL27724225 0.79 LMNA (0.46) LMNAALDH1A1TSHRNT5ESMN1; SMN2
SCHEMBL15866086 0.79 ALDH1A1 (0.43) LMNAALDH1A1TSHRSMN1; SMN2CA12
SCHEMBL755720 0.79 CA12 (0.66) LMNAALDH1A1SMN1; SMN2CA12CA1
SCHEMBL18087455 0.79 CA12 (0.52) LMNAALDH1A1TSHRSMN1; SMN2CA12
SCHEMBL19887236 0.79 CA12 (0.52) LMNAALDH1A1TSHRSMN1; SMN2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102584651-B Reduction method of sulfoacid UNIV ZHEJIANG 2013-12-18 — — CN claimed
CN-102584651-B Reduction method of sulfoacid UNIV ZHEJIANG 2013-12-18 — — CN disclosed
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