SCHEMBL9344362

SCHEMBL9344362

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
NR5A1 Q13285 1/20 0.40
CRBN Q96SW2 1/20 0.40
NPC1 O15118 1/20 0.39
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
S1PR3 Q99500 1/20 0.38
LTA4H P09960 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL9344528 1.00 LMNA (0.40) LMNANR5A1CRBNNPC1MAOA
SCHEMBL9344522 1.00 LMNA (0.40) LMNANR5A1CRBNNPC1MAOA
SCHEMBL9345991 1.00 LMNA (0.40) LMNANR5A1CRBNNPC1MAOA
SCHEMBL9346001 1.00 LMNA (0.40) LMNANR5A1CRBNNPC1MAOA
SCHEMBL9344348 1.00 LMNA (0.40) LMNANR5A1CRBNNPC1MAOA
SCHEMBL9349024 1.00 LMNA (0.40) LMNANR5A1CRBNNPC1MAOA
SCHEMBL9344370 1.00 LMNA (0.40) LMNANR5A1CRBNNPC1MAOA
SCHEMBL9349621 0.99 LMNA (0.40) LMNANR5A1CRBNNPC1MAOA
SCHEMBL9349610 0.99 LMNA (0.40) LMNANR5A1CRBNNPC1MAOA
SCHEMBL9349152 0.99 LMNA (0.41) LMNANR5A1CRBNNPC1MAOA

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 2 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
EP-0344557-A2 Liquid crystal components with a trimethylenoxy group F. HOFFMANN-LA ROCHE AG (CH) 1989-12-06 EP disclosed