SCHEMBL9869360

SCHEMBL9869360

Cc1ccc(S(=O)(=O)O)c(CC2COc3cc(C(C)(C)C)ccc3O2)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.42
LMNA P02545 3/20 0.36
CA1 P00915 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RAB9A P51151 2/20 0.34
GAA P10253 1/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
AIMP2 Q13155 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34
POLB P06746 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL7286936 0.85 LMNA (0.50) CA2LMNASMN1; SMN2RAB9AGAA
SCHEMBL7199693 0.80 MTNR1A (0.50) CA2LMNASMN1; SMN2GAAALDH1A1
SCHEMBL1883517 0.80 CA2 (0.43) CA2LMNASMN1; SMN2KDM4EUSP2
SCHEMBL909187 0.76 KMT2A (0.38) CA2LMNAGAAKDM4EALDH1A1
SCHEMBL537494 0.76 KMT2A (0.38) CA2LMNAGAAKDM4EALDH1A1
SCHEMBL909752 0.76 KMT2A (0.38) CA2LMNAGAAKDM4EALDH1A1
SCHEMBL5767727 0.75 CA2 (0.36) CA2LMNASMN1; SMN2RAB9AGAA
SCHEMBL5768634 0.75 CA2 (0.36) CA2LMNASMN1; SMN2GAAKDM4E
SCHEMBL6107714 0.75 HTR1A (0.39) CA2LMNAKDM4EUSP2ALDH1A1
SCHEMBL7204009 0.75 LMNA (0.48) CA2LMNASMN1; SMN2RAB9AGAA

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-0429535-A1 FUNGICIDAL BENZODIOXANE AMINE DERIVATIVES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-06-05 EP disclosed
EP-0359400-A1 Fungicidal benzodioxane amine derivatives E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-03-21 EP disclosed
WO-1990002122-A1 FUNGICIDAL BENZODIOXANE AMINE DERIVATIVES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-03-08 WO disclosed