SCHEMBL5721047

SCHEMBL5721047

[CH2]CC(OCCCC)OC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
TSHR P16473 5/20 0.36
HPGD P15428 1/20 0.36
ATM Q13315 1/20 0.34
PRKCA P17252 2/20 0.34
GLS2 Q9UI32 2/20 0.33
CES2 O00748 1/20 0.32
LMNA P02545 2/20 0.32
ESR1 P03372 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
NR1H2 P55055 1/20 0.32
RNASEL Q05823 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL10431747 0.89 TSHR (0.34) ALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL2722996 0.85 ALDH1A1 (0.48) ALDH1A1TSHRHPGDATMPRKCA
SCHEMBL11486970 0.85 ALDH1A1 (0.48) ALDH1A1TSHRHPGDATMPRKCA
SCHEMBL3023337 0.83 ALDH1A1 (0.47) ALDH1A1TSHRHPGDATMPRKCA
SCHEMBL12031779 0.81 ALDH1A1 (0.45) ALDH1A1TSHRHPGDATMPRKCA
SCHEMBL10430851 0.80 TSHR (0.37) ALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL28007066 0.80 ALDH1A1 (0.44) ALDH1A1CES2
SCHEMBL7389478 0.80 ALDH1A1 (0.53) ALDH1A1TSHRHPGDATMPRKCA
SCHEMBL9302688 0.80 ADRB2 (0.38) ALDH1A1TSHRHPGDATMLMNA
SCHEMBL11124575 0.79 ALDH1A1 (0.42) ALDH1A1TSHRATMPRKCACES2

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-20060230549-A1 blue anthraquinone and anthra(2,3-c)pyrrolidinedione pigments; dyeing very fine polyester fibers; also with red and/or yellow pigments DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2006-10-19 US disclosed
EP-1644447-A1 DISPERSE DYE MIXTURES WHICH HAVE A HIGH DEGREE OF LIGHT FASTNESS DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2006-04-12 EP disclosed
WO-2005005552-A1 DISPERSE DYE MIXTURES WHICH HAVE A HIGH DEGREE OF LIGHT FASTNESS DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2005-01-20 WO disclosed
US-5428138-A Colorfastness, washfastness, pH sensitivity CASSELLA AG (DE) 1995-06-27 US disclosed