SCHEMBL13289643

SCHEMBL13289643

C=C(C)C(=O)OCC1CCC(C2CCC(COC(=O)C(=C)C)CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
TSHR P16473 4/20 0.42
THRB P10828 1/20 0.40
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
TLR4 O00206 1/20 0.31
POLB P06746 1/20 0.30
APEX1 P27695 1/20 0.30
HTT P42858 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
SLC1A3 P43003 2/20 0.30
SLC1A2 P43004 2/20 0.30
SLC1A1 P43005 2/20 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
SCHEMBL19844237 1.00 ALDH1A1 (0.55) ALDH1A1TSHRTHRBLMNACYP3A4
SCHEMBL12269715 0.94 ALDH1A1 (0.60) ALDH1A1TSHRTHRBLMNACYP3A4
SCHEMBL496421 0.94 ALDH1A1 (0.60) ALDH1A1TSHRTHRBLMNACYP3A4
SCHEMBL9979752 0.90 ALDH1A1 (0.46) ALDH1A1TSHRTHRB
SCHEMBL18309889 0.89 ALDH1A1 (0.55) ALDH1A1TSHRTHRBLMNACYP3A4
SCHEMBL12975815 0.89 ALDH1A1 (0.55) ALDH1A1TSHRTHRBLMNACYP3A4
SCHEMBL13289646 0.87 ALDH1A1 (0.44) ALDH1A1TSHRTHRB
SCHEMBL13080335 0.87 ALDH1A1 (0.53) ALDH1A1TSHRTHRBLMNACYP3A4
SCHEMBL154983 0.87 ALDH1A1 (0.53) ALDH1A1TSHRTHRBLMNACYP3A4
SCHEMBL465384 0.87 ALDH1A1 (0.53) ALDH1A1TSHRTHRBLMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180037817-A1 POLYMERIZABLE COMPOSITION AND OPTICALLY ANISOTROPIC BODY DIC CORPORATION (JP) 2018-02-08 US disclosed
US-9315728-B2 Polymerizable liquid crystal composition and homogeneous-aligned liquid crystal film JNC CORPORATION (JP) 2016-04-19 US disclosed
US-8419973-B2 Polymerizable liquid crystal composition and homeotropically-aligned liquid crystal film JNC CORPORATION (JP) 2013-04-16 US disclosed
US-20100151154-A1 Polymerizable liquid crystal composition and homeotropically-aligned liquid crystal film CHISSO CORPORATION 2010-06-17 US disclosed
US-20100143612-A1 Polymerizable liquid crystal composition and homogeneous-aligned liquid crystal film CHISSO CORPORATION 2010-06-10 US disclosed