SCHEMBL11097537

SCHEMBL11097537

Cc1ccc(S(=O)(=O)OCC2COc3c(C)cccc3O2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
CA2 P00918 4/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
TSHR P16473 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
RAB9A P51151 1/20 0.38
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36

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
SCHEMBL7781954 0.91 CA2 (0.53) LMNASMN1; SMN2CA2ALDH1A1CYP3A4
SCHEMBL6976439 0.90 LMNA (0.48) LMNASMN1; SMN2CA2ALDH1A1CYP3A4
SCHEMBL7782073 0.90 LMNA (0.48) LMNASMN1; SMN2CA2ALDH1A1CYP3A4
SCHEMBL6976444 0.90 LMNA (0.48) LMNASMN1; SMN2CA2ALDH1A1CYP3A4
SCHEMBL9372518 0.90 LMNA (0.46) LMNASMN1; SMN2CA2ALDH1A1CYP3A4
SCHEMBL440397 0.86 LMNA (0.64) LMNASMN1; SMN2CA2ALDH1A1MAPK1
SCHEMBL5845241 0.86 LMNA (0.64) LMNASMN1; SMN2CA2ALDH1A1MAPK1
SCHEMBL567428 0.86 LMNA (0.64) LMNASMN1; SMN2CA2ALDH1A1MAPK1
SCHEMBL11098694 0.85 LMNA (0.43) LMNASMN1; SMN2CA2ALDH1A1CYP3A4
SCHEMBL11099885 0.85 ALDH1A1 (0.42) LMNASMN1; SMN2CA2ALDH1A1CYP3A4

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-4470989-A Neuroleptic n-oxacyclyl-alkylpiperidine derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1984-09-11 US disclosed