SCHEMBL9645536

SCHEMBL9645536

C=C(C)C(=O)OC.C=C(C)C(=O)OCC.C=C(C)C(=O)OCC(C)C

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.75
ALDH1A1 P00352 6/20 0.54
THRB P10828 1/20 0.46
GPR35 Q9HC97 1/20 0.40
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
MAPT P10636 1/20 0.37
GLO1 Q04760 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
EGLN1 Q9GZT9 1/20 0.34

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
SCHEMBL6560644 0.94 TSHR (0.84) TSHRALDH1A1THRBGPR35CYP2D6
SCHEMBL8978071 0.93 TSHR (0.88) TSHRALDH1A1THRBMAPTSMN1; SMN2
Methacrylic Acid SCHEMBL4581267 0.89 TSHR (0.75) TSHRALDH1A1THRBGPR35CYP2D6
SCHEMBL39564 0.89 ALDH1A1 (0.68) TSHRALDH1A1THRBCYP2D6CYP2C19
SCHEMBL24562 0.87 TSHR (1.00) TSHRALDH1A1THRBSMN1; SMN2
Ether SCHEMBL4279341 0.85 TSHR (0.81) TSHRALDH1A1THRBGPR35CYP2D6
Hydrochloric Acid SCHEMBL28230911 0.85 ALDH1A1 (0.62) TSHRALDH1A1THRBCYP2D6CYP2C19
Acrylic Acid SCHEMBL5959113 0.85 TSHR (0.68) TSHRALDH1A1THRBGPR35CYP2D6
SCHEMBL9082422 0.85 TSHR (0.95) TSHRALDH1A1THRBSMN1; SMN2
Hydroxyl Radical SCHEMBL28311885 0.85 TSHR (0.95) TSHRALDH1A1THRBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5086307-A Graft polymer CANON KABUSHIKI KAISHA (JP) 1992-02-04 US claimed