SCHEMBL7143699

SCHEMBL7143699

CC(=O)OCC1(C)CCOc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.42
GAA P10253 4/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 3/20 0.42
G6PD P11413 1/20 0.42
KMT2A Q03164 3/20 0.38
RARA P10276 3/20 0.37
RARB P10826 3/20 0.37
RARG P13631 3/20 0.37
KDM4E B2RXH2 1/20 0.37
AKR1B1 P15121 1/20 0.36
NOTUM Q6P988 1/20 0.35

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
SCHEMBL7137830 0.83 RARA (0.38) SMN1; SMN2GAAMAPTALDH1A1G6PD
SCHEMBL7143121 0.81 KMT2A (0.39) SMN1; SMN2KMT2A
SCHEMBL7140448 0.80 RARA (0.36) SMN1; SMN2GAAMAPTALDH1A1G6PD
SCHEMBL5477166 0.78 GAA (0.47) GAAALDH1A1KMT2A
SCHEMBL11886853 0.78 AKR1B1 (0.47) SMN1; SMN2GAAMAPTALDH1A1KMT2A
SCHEMBL7144622 0.77 ITGB2 (0.39) SMN1; SMN2GAAKMT2A
SCHEMBL3424828 0.77 ITGB2 (0.39) SMN1; SMN2GAAKMT2A
SCHEMBL7141441 0.77 RARA (0.34) SMN1; SMN2GAAMAPTALDH1A1G6PD
SCHEMBL5172725 0.74 AKR1B1 (0.38) SMN1; SMN2GAAMAPTALDH1A1KMT2A
SCHEMBL7139418 0.74 RARB (0.49) KMT2ARARARARBRARG

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1151144-C Benzopyrans and benzothiopyrans as RAR selective retinoid agonists - 2004-05-26 CN disclosed
EP-1212316-B1 BENZOPYRANS AND BENZOTHIOPYRANS AS RAR SELECTIVE RETINOID AGONISTS HOFFMANN LA ROCHE (CH) 2003-10-15 EP disclosed
US-6479670-B1 Selective retinoid acid receptor agonists HOFFMANN-LA ROCHE INC. 2002-11-12 US disclosed
CN-1370156-A Benzopyrans and benzothiopyrans as RAR selective retinoid agonists HOFFMANN LA ROCHE (CH) 2002-09-18 CN disclosed
EP-1212316-A2 BENZOPYRANS AND BENZOTHIOPYRANS AS RAR SELECTIVE RETINOID AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-06-12 EP disclosed
WO-2001014360-A2 BENZOPYRANS AND BENZOTHIOPYRANS AS RAR SELECTIVE RETINOID AGONISTS F. HOFFMAN-LA ROCHE AG (CH) 2001-03-01 WO disclosed