SCHEMBL12200023

SCHEMBL12200023

C=CC(=O)OCC(COCCCCCCOCC(COC(=O)C=C)OC)OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.52
ALDH1A1 P00352 3/20 0.52
CYP3A4 P08684 1/20 0.52
HPGD P15428 1/20 0.47
AKT1 P31749 3/20 0.46
AKT2 P31751 3/20 0.46
AKT3 Q9Y243 3/20 0.46
PIK3R1 P27986 1/20 0.46
PIK3CA P42336 1/20 0.46
LPAR1 Q92633 5/20 0.45
LPAR3 Q9UBY5 5/20 0.45
LPAR6 P43657 3/20 0.45
LPAR4 Q99677 3/20 0.45
LPAR5 Q9H1C0 3/20 0.45
LPAR2 Q9HBW0 3/20 0.45
TP53 P04637 2/20 0.43
HIF1A Q16665 2/20 0.43
PRKD3 O94806 1/20 0.43
PRKCG P05129 1/20 0.43
PRKCB P05771 1/20 0.43

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
SCHEMBL19718525 0.88 TSHR (0.57) TSHRALDH1A1CYP3A4HPGDLPAR1
SCHEMBL18123454 0.86 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDLPAR1
SCHEMBL11964794 0.84 TSHR (0.57) TSHRALDH1A1CYP3A4HPGDAKT1
SCHEMBL12226123 0.83 TSHR (0.47) TSHRALDH1A1CYP3A4HPGDAKT1
SCHEMBL28532330 0.83 TSHR (0.59) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL28907626 0.83 TSHR (0.59) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL28531918 0.83 TSHR (0.59) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL28907629 0.83 TSHR (0.59) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL2359280 0.81 TSHR (0.55) TSHRALDH1A1CYP3A4HPGDAKT1
SCHEMBL18116400 0.81 TSHR (0.51) TSHRALDH1A1CYP3A4HPGDAKT1

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-8796357-B2 Ink composition, image forming method, and print material FUJIFILM CORPORATION (JP) 2014-08-05 US disclosed
US-20120238691-A1 INK COMPOSITION, IMAGE FORMING METHOD, AND PRINT MATERIAL FUJIFILM CORPORATION (JP) 2012-09-20 US disclosed
US-20110242191-A1 INK COMPOSITION, INKJET RECORDING METHOD AND PROCESS FOR PRODUCING MOLDED PRINTED MATERIAL FUJIFILM CORPORATION (JP) 2011-10-06 US disclosed
US-20100075061-A1 INK COMPOSITION, INKJET RECORDING METHOD AND METHOD FOR PRODUCING PRINTED FORMED ARTICLE FUJIFILM CORPORATION (JP) 2010-03-25 US disclosed