SCHEMBL7522096

SCHEMBL7522096

COC(=O)c1cc(S(C)(=O)=O)ccc1OC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 5/20 0.44
TSHR P16473 3/20 0.44
ADRA2A P08913 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
HTR2B P41595 1/20 0.44
STAT6 P42226 1/20 0.44
KCNH2 Q12809 1/20 0.44
CFD P00746 2/20 0.44
KDM4E B2RXH2 1/20 0.44
BLM P54132 1/20 0.43
POLB P06746 2/20 0.42
EPAS1 Q99814 1/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
PKM P14618 2/20 0.40
PTGS2 P35354 2/20 0.40

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
SCHEMBL7413111 0.87 GAA (0.56) LMNACFDKDM4EGAAPTGS2
SCHEMBL3220624 0.86 SMN1; SMN2 (0.57) SMN1; SMN2LMNATSHRADRA2ACYP2D6
SCHEMBL7411870 0.85 LMNA (0.43) SMN1; SMN2LMNATSHRCYP2C9CFD
SCHEMBL6628635 0.81 HTT (0.52) SMN1; SMN2LMNATSHRADRA2ACYP2D6
SCHEMBL2825071 0.81 SMN1; SMN2 (0.47) SMN1; SMN2LMNATSHRADRA2ACYP2D6
SCHEMBL21184279 0.80 LMNA (0.46) SMN1; SMN2LMNATSHRADRA2ACYP2D6
SCHEMBL6628554 0.78 S1PR3 (0.49) SMN1; SMN2LMNATSHRADRA2ACYP2D6
SCHEMBL6629256 0.78 LMNA (0.47) SMN1; SMN2LMNATSHRADRA2ACYP2D6
SCHEMBL2642603 0.78 CA2 (0.61) LMNATSHRKDM4EALDH1A1GAA
SCHEMBL2642601 0.78 LMNA (0.47) SMN1; SMN2LMNATSHRADRA2ACYP2D6

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-4935511-A Nervous system, gastrointestinal disorders RORER PHARMACEUTICAL CORPORATION (US) 1990-06-19 US disclosed