SCHEMBL8736809

SCHEMBL8736809

C=CC(=O)OCC(N)CC

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.59
HPGD P15428 1/20 0.47
ALDH1A1 P00352 5/20 0.42
TP53 P04637 3/20 0.42
HIF1A Q16665 3/20 0.42
CYP3A4 P08684 2/20 0.42
HSD17B10 Q99714 1/20 0.42
THRB P10828 4/20 0.40
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALOX15 P16050 1/20 0.33
LAP3 P28838 1/20 0.31

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
SCHEMBL12860008 0.87 TSHR (0.61) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL7217324 0.84 TSHR (0.48) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL9773634 0.83 HCAR2 (0.43) TSHRHPGDALDH1A1CYP3A4ALOX15
SCHEMBL9643329 0.82 TSHR (0.66) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL8213752 0.81 TSHR (0.53) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL11194498 0.80 TSHR (0.59) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL11500775 0.80 TSHR (0.53) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL74390 0.79 TSHR (0.73) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL405489 0.79
SCHEMBL187961 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5444110-A A triazine compound and a plasticizer NIPPON ZEON CO., LTD. (JP) 1995-08-22 US claimed
EP-4446310-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND Asahi Kasei Kabushiki Kaisha (JP) 2024-10-16 EP disclosed
WO-2023106377-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND 旭化成株式会社 2023-06-15 WO disclosed
EP-0611088-B1 Crosslinkable PVC-plastisol NIPPON ZEON CO (JP) 1998-09-02 EP disclosed
EP-0761725-A2 Laminated polyester film DIAFOIL HOECHST CO., LTD (JP) 1997-03-12 EP disclosed
US-5444110-A A triazine compound and a plasticizer NIPPON ZEON CO., LTD. (JP) 1995-08-22 US disclosed
US-5350550-A Method of production of a plastic laminate NIPPON ZEON CO., LTD. (JP) 1994-09-27 US disclosed
EP-0611088-A1 Crosslinkable PVC-plastisol NIPPON ZEON CO., LTD. (JP) 1994-08-17 EP disclosed