SCHEMBL6880778

SCHEMBL6880778

OCCCc1cccc2ncccc12

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.51
TBXAS1 P24557 1/20 0.51
CHRM1 P11229 9/20 0.48
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GLS O94925 1/20 0.44
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
POLB P06746 1/20 0.41
NSD2 O96028 1/20 0.40
CYP3A4 P08684 1/20 0.39

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
SCHEMBL5495469 0.89 CYP19A1 (0.54) CYP19A1TBXAS1CHRM1KDM4EMAPT
SCHEMBL7358307 0.87 LOXL2 (0.56) KDM4EMAPTKMT2AALDH1A1LMNA
SCHEMBL15155439 0.84 CYP19A1 (0.53) CYP19A1TBXAS1CHRM1KDM4EMAPT
SCHEMBL3136413 0.83 KDM4E (0.56) CYP19A1TBXAS1KDM4EMAPTMEN1
SCHEMBL5542601 0.82 CYP19A1 (0.51) CYP19A1TBXAS1CHRM1KDM4EMAPT
SCHEMBL6115223 0.82 CYP19A1 (0.51) CYP19A1TBXAS1CHRM1KDM4EMAPT
SCHEMBL828039 0.82 CYP19A1 (0.51) CYP19A1TBXAS1CHRM1KDM4EMAPT
SCHEMBL4242510 0.81 TLR8 (0.50) CYP19A1TBXAS1CHRM1KDM4EMAPT
SCHEMBL5543653 0.81 CYP19A1 (0.50) CYP19A1TBXAS1CHRM1KDM4EMAPT
SCHEMBL11648609 0.80 POLB (0.43) KDM4EMAPTMEN1KMT2AALDH1A1

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
CN-1451009-A Glucocortiocoid-selective antinflammatory agents ABBOTT LAB (US) 2003-10-22 CN claimed
CN-1119348-C glucocorticoid derivatives, compositions and uses thereof ABBOTT INC (US) 2003-08-27 CN claimed
EP-1299392-A2 GLUCOCORTIOCOID-SELECTIVE ANTIINFLAMMATORY AGENTS Abbott Laboratories (US) 2003-04-09 EP claimed
WO-2002002565-A2 GLUCOCORTIOCOID-SELECTIVE ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 2002-01-10 WO claimed
CN-1296486-A Glucocorticoid-selective anti-inflammatory agents ABBOTT LAB (US) 2001-05-23 CN claimed
WO-2021138298-A1 MALT1 MODULATORS AND USES THEREOF RHEOS MEDICINES, INC. (US) 2021-07-08 WO disclosed
CN-1585775-A 6-O-acyl ketolide derivatives of erythromycine useful as antibacterials ORTHO MCNEIL PHARM INC (US) 2005-02-23 CN disclosed
US-6825170-B2 ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-30 US disclosed
CN-1451009-A Glucocortiocoid-selective antinflammatory agents ABBOTT LAB (US) 2003-10-22 CN disclosed
CN-1119348-C glucocorticoid derivatives, compositions and uses thereof ABBOTT INC (US) 2003-08-27 CN disclosed
CN-1422953-A Gene sequence of Japanese shistosome China mainland strain gynecophoric canal protein SHANGHAI DOMESTIC ANIMAL PARAS (CN) 2003-06-11 CN disclosed
CN-1296486-A Glucocorticoid-selective anti-inflammatory agents ABBOTT LAB (US) 2001-05-23 CN disclosed