SCHEMBL6973466

SCHEMBL6973466

Cc1ccc(S(=O)(=O)OC[C@H]2COc3ccc(C)cc3O2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.57
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.47
HTR6 P50406 1/20 0.46
FFAR1 O14842 3/20 0.45
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
TSHR P16473 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38

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
SCHEMBL6973472 1.00 CA2 (0.57) CA2LMNASMN1; SMN2HTR6FFAR1
SCHEMBL10832816 0.95 CA2 (0.51) CA2LMNASMN1; SMN2HTR6FFAR1
SCHEMBL17282519 0.93 CA2 (0.53) CA2LMNASMN1; SMN2HTR6FFAR1
SCHEMBL1018787 0.91 FFAR1 (0.49) CA2LMNASMN1; SMN2HTR6FFAR1
SCHEMBL1019038 0.91 FFAR1 (0.49) CA2LMNASMN1; SMN2HTR6FFAR1
SCHEMBL1019975 0.91 FFAR1 (0.49) CA2LMNASMN1; SMN2HTR6FFAR1
SCHEMBL11102654 0.91 LMNA (0.48) CA2LMNASMN1; SMN2HTR6FFAR1
SCHEMBL1872709 0.90 CA2 (0.47) CA2LMNASMN1; SMN2HTR6FFAR1
SCHEMBL1044755 0.90 CA2 (0.53) CA2LMNASMN1; SMN2HTR6FFAR1
SCHEMBL1883283 0.90 CA2 (0.47) CA2LMNASMN1; SMN2HTR6FFAR1

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 4 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
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
EP-0839145-A1 HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS Knoll AG (DE) 1998-05-06 EP disclosed
WO-1997003071-A1 HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS KNOLL AKTIENGESELLSCHAFT (DE) 1997-01-30 WO disclosed