SCHEMBL6976444

SCHEMBL6976444

Cc1ccc(S(=O)(=O)OCC2COc3cccc(C)c3O2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
CA2 P00918 4/20 0.40
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
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 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
SCHEMBL7782073 1.00 LMNA (0.48) LMNASMN1; SMN2CA2ALDH1A1CYP3A4
SCHEMBL6976439 1.00 LMNA (0.48) LMNASMN1; SMN2CA2ALDH1A1CYP3A4
SCHEMBL4960147 0.91 LMNA (0.45) LMNASMN1; SMN2CA2ALDH1A1CYP3A4
SCHEMBL5844958 0.91 LMNA (0.46) LMNASMN1; SMN2CA2ALDH1A1CYP3A4
SCHEMBL1021389 0.91 LMNA (0.46) LMNASMN1; SMN2CA2ALDH1A1CYP3A4
SCHEMBL11097537 0.90 LMNA (0.48) LMNASMN1; SMN2CA2ALDH1A1CYP3A4
SCHEMBL4961338 0.90 LMNA (0.47) LMNASMN1; SMN2CA2ALDH1A1CYP3A4
SCHEMBL4961003 0.90 LMNA (0.46) LMNASMN1; SMN2CA2ALDH1A1CYP3A4
SCHEMBL6971100 0.90 CA2 (0.54) LMNASMN1; SMN2CA2ALDH1A1CYP3A4
SCHEMBL4964470 0.90 LMNA (0.46) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0839145-B1 HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2003-11-05 EP disclosed
EP-0841334-B1 PROCESS FOR PRODUCING 1,4-BENZODIOXANE DERIVATIVES DAISO CO LTD (JP) 2001-10-04 EP disclosed
JP-2001081086-A PRODUCTION OF 1,4-BENZODIOXANES DAISO CO LTD 2001-03-27 JP disclosed
US-5935973-A AFFINITY FOR 5-HT1A, ALPHA1, ALPHA2 AND/OR D2 RECEPTORS; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS, PSYCHOSES, DYSKINESIAS, PARKINSON'S DISEASE, HYPOTENSIVE AGENTS, TOURETTE'S SYNDROME, OBSESSIVE-COMPULSIVE BEHAVIOUR, PANIC ATTACKS, SOCIAL PHOBIAS KNOLL AKTIENGESELLSCHAFT (DE) 1999-08-10 US disclosed
US-5780650-A Process for preparation of 1,4-benzodioxane derivative DAISO CO., LTD. (JP) 1998-07-14 US disclosed
EP-0841334-A1 PROCESS FOR PRODUCING 1,4-BENZODIOXANE DERIVATIVES DAISO CO., LTD. (JP) 1998-05-13 EP disclosed
EP-0839145-A1 HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS Knoll AG (DE) 1998-05-06 EP disclosed
EP-0565732-B1 BENZODIOXANE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 1998-01-14 EP disclosed
WO-1997003071-A1 HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS KNOLL AKTIENGESELLSCHAFT (DE) 1997-01-30 WO disclosed
US-5480905-A ANTIDEPRESSANTS, ANXIOLYTIC AGENTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1996-01-02 US disclosed
EP-0565732-A1 BENZODIOXANE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 1993-10-20 EP disclosed
US-4470989-A Neuroleptic n-oxacyclyl-alkylpiperidine derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1984-09-11 US disclosed