SCHEMBL9345732

SCHEMBL9345732

CCCCCCCC1CCC(CCCOc2ccc(C3OCC(CCC)CO3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
NR5A1 Q13285 1/20 0.38
CRBN Q96SW2 1/20 0.38
NPC1 O15118 1/20 0.37
S1PR3 Q99500 1/20 0.37
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
LTA4H P09960 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36

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
SCHEMBL9344573 1.00 LMNA (0.39) LMNANR5A1CRBNNPC1S1PR3
SCHEMBL9345716 1.00 LMNA (0.39) LMNANR5A1CRBNNPC1S1PR3
SCHEMBL9346067 1.00 LMNA (0.39) LMNANR5A1CRBNNPC1S1PR3
SCHEMBL9346429 0.99 LMNA (0.40) LMNANR5A1CRBNNPC1S1PR3
SCHEMBL9348876 0.99 LMNA (0.40) LMNANR5A1CRBNNPC1S1PR3
SCHEMBL9344362 0.97 LMNA (0.40) LMNANR5A1CRBNNPC1S1PR3
SCHEMBL9345991 0.97 LMNA (0.40) LMNANR5A1CRBNNPC1S1PR3
SCHEMBL9344528 0.97 LMNA (0.40) LMNANR5A1CRBNNPC1S1PR3
SCHEMBL9344348 0.97 LMNA (0.40) LMNANR5A1CRBNNPC1S1PR3
SCHEMBL9346001 0.97 LMNA (0.40) LMNANR5A1CRBNNPC1S1PR3

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