SCHEMBL9346012

SCHEMBL9346012

CCC[C@H]1CC[C@H](CCCOc2ccc([C@H]3OC[C@H](CCC)CO3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
NPC1 O15118 1/20 0.37
MAOA P21397 3/20 0.37
MAOB P27338 3/20 0.37
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
NFE2L2 Q16236 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.34

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
SCHEMBL9344620 0.97 CRBN (0.40) CRBNHRH3NPC1MAOAMAOB
SCHEMBL9348876 0.96 LMNA (0.40) CRBNHRH3NPC1MAOAMAOB
SCHEMBL9346429 0.96 LMNA (0.40) CRBNHRH3NPC1MAOAMAOB
SCHEMBL9346067 0.95 LMNA (0.39) CRBNNPC1MAOAMAOBLMNA
SCHEMBL9344573 0.95 LMNA (0.39) CRBNNPC1MAOAMAOBLMNA
SCHEMBL9345732 0.95 LMNA (0.39) CRBNNPC1MAOAMAOBLMNA
SCHEMBL9345716 0.95 LMNA (0.39) CRBNNPC1MAOAMAOBLMNA
SCHEMBL9589384 0.95 CRBN (0.37) CRBNHRH3NPC1MAOAMAOB
SCHEMBL9349152 0.93 LMNA (0.41) CRBNHRH3NPC1MAOAMAOB
SCHEMBL9349131 0.93 LMNA (0.41) CRBNHRH3NPC1MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0344557-B1 Liquid crystal components with a trimethylenoxy group HOFFMANN LA ROCHE (CH) 1994-08-10 EP disclosed
US-5238600-A IBIMETHYLENOXY CONTAINING LIQUID CRYSTAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 1993-08-24 US disclosed
EP-0344557-A2 Liquid crystal components with a trimethylenoxy group F. HOFFMANN-LA ROCHE AG (CH) 1989-12-06 EP disclosed