SCHEMBL8736815

SCHEMBL8736815

C=CC(=O)OCCC(C)N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.53
ALDH1A1 P00352 4/20 0.52
TP53 P04637 3/20 0.52
HIF1A Q16665 3/20 0.52
CYP3A4 P08684 2/20 0.52
HSD17B10 Q99714 1/20 0.52
HPGD P15428 1/20 0.52
THRB P10828 2/20 0.43
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GABRP O00591 2/20 0.39
GABRD O14764 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRB1 P18505 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
GABRA2 P47869 2/20 0.39
GABRB2 P47870 2/20 0.39

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
SCHEMBL3294032 0.89 TSHR (0.47) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL34661 0.83 TSHR (0.63) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL29550542 0.83 TSHR (0.63) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL9103359 0.83 TSHR (0.57) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL142522 0.82 TSHR (0.55) TSHRALDH1A1TP53HIF1ACYP3A4
Ethylene SCHEMBL28783854 0.82 TSHR (0.61) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL9817924 0.82 TSHR (0.54) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL27753438 0.82 TSHR (0.55) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL8660776 0.82 TSHR (0.55) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL27800524 0.82 TSHR (0.55) TSHRALDH1A1TP53HIF1ACYP3A4

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 6 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
CN-112566945-A Synergistic combinations for inhibiting polymerization BL 科技公司 2021-03-26 CN disclosed
EP-0611088-B1 Crosslinkable PVC-plastisol NIPPON ZEON CO (JP) 1998-09-02 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