SCHEMBL10698780

SCHEMBL10698780

C=CC(=O)OC(C)N(CC)C(C)OC(=O)C=C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.44
HPGD P15428 1/20 0.38
ALDH1A1 P00352 5/20 0.33
TP53 P04637 3/20 0.33
HIF1A Q16665 3/20 0.33
CYP3A4 P08684 2/20 0.33
HSD17B10 Q99714 1/20 0.33
THRB P10828 3/20 0.33
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL14923 0.84 TSHR (0.44) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL8741763 0.82 TSHR (0.42) TSHRHPGDALDH1A1TP53HIF1A
Ammonia Solution, Strong SCHEMBL28293803 0.82 TSHR (0.42) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL3975174 0.81 TSHR (0.41) TSHRHPGDALDH1A1TP53HIF1A
Chloromethane SCHEMBL1127605 0.81 TSHR (0.41) TSHRHPGDALDH1A1TP53HIF1A
Hydrochloric Acid SCHEMBL28153943 0.81 TSHR (0.41) TSHRHPGDALDH1A1TP53HIF1A
Acetic Acid SCHEMBL10336450 0.79 TSHR (0.40) TSHRHPGDALDH1A1TP53HIF1A
Ethyl Chloride SCHEMBL28779029 0.79 TSHR (0.40) TSHRHPGDALDH1A1TP53HIF1A
Boric Acid SCHEMBL9774047 0.79 TSHR (0.40) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL11473342 0.79 TSHR (0.45) TSHRHPGDALDH1A1TP53HIF1A

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
EP-0262242-A1 Photo-curable composition Nippon Paint Co., Ltd. (JP) 1988-04-06 EP disclosed