SCHEMBL7141763

SCHEMBL7141763

COCC1(C)CCCOc2cc(Br)ccc21

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
BLM P54132 1/20 0.36
MAP3K14 Q99558 1/20 0.32
XIAP P98170 3/20 0.32
BIRC2 Q13490 3/20 0.32
BACE1 P56817 5/20 0.32
APP P05067 1/20 0.32
MAOB P27338 1/20 0.31
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
GAA P10253 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL7136215 0.85 LMNA (0.33) LMNAMAPTHTTBLMMAP3K14
SCHEMBL7141712 0.83 LMNA (0.38) LMNAMAPTHTTBLMMAP3K14
SCHEMBL7140485 0.81 MAPT (0.38) LMNAMAPTHTTBLMBACE1
SCHEMBL7139476 0.81 MAP3K14 (0.30) MAP3K14
SCHEMBL7143649 0.81 BACE1 (0.31) BACE1
SCHEMBL7146611 0.80 LMNA (0.33) LMNAMAPTHTTBLMMAP3K14
SCHEMBL15023284 0.78 LMNA (0.43) LMNAMAPTHTTBLMMAP3K14
SCHEMBL7139191 0.78
SCHEMBL7144498 0.74 RARB (0.50)
SCHEMBL7140832 0.74 RARA (0.50) LMNAMAPTBLMNPC1RAB9A

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-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
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