SCHEMBL8895995

SCHEMBL8895995

CC(CC#N)C(Br)(Br)C#N.OC=COc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.33
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CTSS P25774 3/20 0.31
CTSL P07711 2/20 0.31
LMNA P02545 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
SCHEMBL8895999 0.80 PBRM1 (0.35) PBRM1CYP3A4CYP2D6CTSSCTSL
SCHEMBL8384648 0.80 LMNA (0.36) PBRM1CYP3A4CYP2D6CTSSCTSL
Phenoxyethanol SCHEMBL5691829 0.77 ALDH1A1 (0.51) CYP3A4LMNA
SCHEMBL223764 0.72 TSHR (0.32)
SCHEMBL5484514 0.71 TSHR (0.31)
SCHEMBL3866432 0.71 LTA4H (0.41) LMNA
SCHEMBL5274339 0.71 LTA4H (0.41) LMNA
SCHEMBL10803610 0.63 LMNA (0.42) PBRM1CYP2D6LMNA
SCHEMBL28263637 0.62 MTNR1A (0.46) PBRM1LMNA
SCHEMBL29108812 0.61 ALDH1A1 (0.50) CYP3A4LMNA

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
US-5643600-A COMPOSITIONS WITH LIPIDS, AMIDES, ESTERS AND ETHERS MICRO-PAK, INC. (US) 1997-07-01 US disclosed
EP-0734250-A1 LIPID VESICLES CONTAINING AVOCADO OIL UNSAPONIFIABLES MICRO-PAK, INC. (US) 1996-10-02 EP disclosed
WO-1995016436-A1 LIPID VESICLES CONTAINING AVOCADO OIL UNSAPONIFIABLES MICRO-PAK, INC. (US) 1995-06-22 WO disclosed