SCHEMBL7140485

SCHEMBL7140485

COCC1(C)CCOc2ccc(Br)cc21

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
BLM P54132 1/20 0.38
BACE1 P56817 10/20 0.36
MAOB P27338 1/20 0.35
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33
APP P05067 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
AKR1B1 P15121 1/20 0.33

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 0.84 RARA (0.38) MAPTLMNAHTTBLMBACE1
SCHEMBL7143649 0.83 BACE1 (0.31) BACE1
SCHEMBL3426809 0.81 LMNA (0.39) MAPTLMNAHTTBLMBACE1
SCHEMBL7141763 0.81 LMNA (0.36) MAPTLMNAHTTBLMBACE1
SCHEMBL7141442 0.80 RARA (0.32) RARARARBRARGAKR1B1
SCHEMBL7143121 0.79 KMT2A (0.39) LMNAHTTKMT2A
SCHEMBL3429359 0.78 ALDH1A1 (0.38) MAPTLMNAHTTBLMBACE1
SCHEMBL2599701 0.77 RARA (0.48) MAPTLMNAHTTBLMBACE1
SCHEMBL29616597 0.77 RARA (0.48) MAPTLMNAHTTBLMBACE1
SCHEMBL7142829 0.77 BACE1 (0.31) BACE1RARARARBRARGAPP

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