SCHEMBL7993969

SCHEMBL7993969

O=C(OCC1CCCCC1)C12CCCCC1O2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
SLC1A3 P43003 4/20 0.36
SLC1A2 P43004 4/20 0.36
SLC1A1 P43005 4/20 0.36
TP53 P04637 1/20 0.32
CYP3A4 P08684 2/20 0.31
THRA P10827 2/20 0.31
THRB P10828 2/20 0.31
ABCB11 O95342 1/20 0.31
CYP1A2 P05177 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CHRM3 P20309 1/20 0.31
DRD1 P21728 1/20 0.31
HRH2 P25021 1/20 0.31

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
SCHEMBL7697029 0.83 ALDH1A1 (0.38) LMNACYP3A4THRBABCB11CYP1A2
SCHEMBL14967907 0.83 ALDH1A1 (0.38) LMNACYP3A4THRBABCB11CYP1A2
SCHEMBL9186819 0.82
SCHEMBL28168435 0.81 CYP3A4 (0.30) CYP3A4
SCHEMBL9656283 0.81 POLB (0.37) LMNACYP3A4THRBABCB11CYP1A2
SCHEMBL14967412 0.80 CYP3A4 (0.42) LMNATP53CYP3A4ABCB11CYP1A2
SCHEMBL14967438 0.78 CYP3A4 (0.40) LMNACYP3A4ABCB11CYP1A2CHRM2
SCHEMBL14967554 0.78 CYP3A4 (0.40) LMNATP53CYP3A4ABCB11CYP1A2
SCHEMBL9656718 0.77 ALDH1A1 (0.36) NPSR1
SCHEMBL14966800 0.77 MAPT (0.44) LMNACYP3A4ABCB11CYP1A2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6291540-B1 IODONIUM SALT WITH LOW TOXICITY; E.G., (CH(CH3)2-C6H4)2-I+ RHODIA CHIMIE (FR) 2001-09-18 US claimed
EP-0129725-B1 IMPROVED LOW SHRINKING CURABLE POLY(ACRYLATE) MOLDING COMPOSITIONS UNION CARBIDE CORPORATION (US) 1990-03-14 EP claimed
US-4524162-A CROSSLINKING AGENTS, UNSATURATED MONOMER AND A THERMOPLASTIC RESIN; AUTOMOBILES UNION CARBIDE CORPORATION (US) 1985-06-18 US claimed
EP-0129725-A2 Improved low shrinking curable poly(acrylate) molding compositions UNION CARBIDE CORPORATION (US) 1985-01-02 EP claimed
EP-0129723-B1 CURABLE POLY(ACRYLATE) MOLDING COMPOSITIONS CONTAINING A THERMOPLASTIC POLYMER LOW PROFILE ADDITIVE UNION CARBIDE CORPORATION (US) 1991-12-18 EP disclosed
EP-0129725-B1 IMPROVED LOW SHRINKING CURABLE POLY(ACRYLATE) MOLDING COMPOSITIONS UNION CARBIDE CORPORATION (US) 1990-03-14 EP disclosed
US-4585833-A THERMOSETTING RESINS UNION CARBIDE CORPORATION (US) 1986-04-29 US disclosed
US-4524162-A CROSSLINKING AGENTS, UNSATURATED MONOMER AND A THERMOPLASTIC RESIN; AUTOMOBILES UNION CARBIDE CORPORATION (US) 1985-06-18 US disclosed
EP-0129723-A2 Curable poly(acrylate) molding compositions containing a thermoplastic polymer low profile additive UNION CARBIDE CORPORATION (US) 1985-01-02 EP disclosed