SCHEMBL6359732

SCHEMBL6359732

C=CC(=O)OCCCCOOC(=O)Cl

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.64
ALDH1A1 P00352 4/20 0.64
CYP3A4 P08684 2/20 0.64
HPGD P15428 1/20 0.53
TP53 P04637 3/20 0.48
HIF1A Q16665 3/20 0.48
HSD17B10 Q99714 1/20 0.48
THRB P10828 2/20 0.38
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ATM Q13315 1/20 0.34
HCAR2 Q8TDS4 3/20 0.33

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
SCHEMBL3220127 0.86 TSHR (0.72) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL343823 0.84 TSHR (0.75) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL17147918 0.82 TSHR (0.65) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL244114 0.82 TSHR (0.95) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL10871545 0.80 ALDH1A1 (0.33) TSHRALDH1A1CYP3A4
SCHEMBL9101988 0.80 TSHR (1.00) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL13945622 0.80 TSHR (1.00) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL8493780 0.80 TSHR (1.00) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL322713 0.80 TSHR (1.00) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL20873747 0.80 TSHR (1.00) TSHRALDH1A1CYP3A4HPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6899824-B2 Applying liquid crystalline polymer to substrates; photopolymerization; curing BASF AKTIENGESELLSCHAFT (DE) 2005-05-31 US disclosed
US-20040140451-A1 For the production of films or coatings which selectively reflect light in the wavelength range from 250 to 1300 nm BASF DRUCKSYSTEME GMBH (DE) 2004-07-22 US disclosed
US-6733689-B1 ACRYLIC ESTER AND VINYL ETHER LIQUID CRYSTAL POLYMERS BASF DRUCKSYSTEME GMBH (DE) 2004-05-11 US disclosed
US-6099751-A Chiral compounds BASF AKTIENGESELLSCHAFT (DE) 2000-08-08 US disclosed