SCHEMBL9157909

SCHEMBL9157909

CCCOc1c(OC)c[c]cc1S(C)(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 7/20 0.49
SMN1; SMN2 Q16637 5/20 0.36
ALDH1A1 P00352 2/20 0.36
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35
TUBA1A Q71U36 1/20 0.35
TUBA1C Q9BQE3 1/20 0.35
TUBB6 Q9BUF5 1/20 0.35
TUBB2B Q9BVA1 1/20 0.35
TUBB1 Q9H4B7 1/20 0.35
HTT P42858 2/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL5568529 0.82 SMN1; SMN2 (0.42) PTAFRSMN1; SMN2GAACA12CA1
SCHEMBL7847500 0.82 SMN1; SMN2 (0.45) PTAFRSMN1; SMN2ALDH1A1TUBB4ATUBB
SCHEMBL6944366 0.80 HTR1A (0.38) PTAFRSMN1; SMN2MAPTRAB9AL3MBTL1
SCHEMBL7844096 0.73 SMN1; SMN2 (0.48) SMN1; SMN2
SCHEMBL7835713 0.72 SMN1; SMN2 (0.47) SMN1; SMN2
SCHEMBL9782164 0.72 MAPT (0.43) SMN1; SMN2ALDH1A1LMNAMAPTRAB9A
SCHEMBL6627059 0.70 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1HTTLMNAMAPT
SCHEMBL7844847 0.70 SMN1; SMN2 (0.46) SMN1; SMN2
SCHEMBL10448821 0.69 PTAFR (0.57) PTAFRSMN1; SMN2ALDH1A1TUBB4ATUBB
SCHEMBL10448547 0.68 PTAFR (0.58) PTAFRSMN1; SMN2ALDH1A1TUBB4ATUBB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5447942-A Treatment of bronchoconstriction SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1995-09-05 US disclosed