SCHEMBL15315465

SCHEMBL15315465

C=CC(=O)OCCCCOC(=O)C(C)CC

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.62
ALDH1A1 P00352 4/20 0.62
CYP3A4 P08684 2/20 0.62
HPGD P15428 1/20 0.61
TP53 P04637 3/20 0.47
HIF1A Q16665 3/20 0.47
HSD17B10 Q99714 1/20 0.47
THRB P10828 2/20 0.44
ATM Q13315 1/20 0.41
HCAR2 Q8TDS4 3/20 0.40
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL10033520 0.93 TSHR (0.55) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL25784320 0.89 TSHR (0.58) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL25501326 0.88 TSHR (0.66) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL25718098 0.88 TSHR (0.51) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL25784318 0.88 TSHR (0.51) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL25784333 0.87 TSHR (0.47) TSHRALDH1A1CYP3A4HPGD
SCHEMBL17035609 0.85 TSHR (0.47) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL11920493 0.84 TSHR (0.47) TSHRALDH1A1CYP3A4HPGD
SCHEMBL25784297 0.83 TSHR (0.46) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL14565935 0.83 TSHR (0.46) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11860338-B2 Optical film FUJIFILM CORPORATION (JP) 2024-01-02 US disclosed
US-9217096-B2 Film forming composition for hard disk NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-12-22 US disclosed
US-20130270222-A1 FILM FORMING COMPOSITION FOR HARD DISK NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-10-17 US disclosed