SCHEMBL9822402

SCHEMBL9822402

C=CC(=O)ON(CCC)CCC

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.45
HPGD P15428 1/20 0.45
THRB P10828 5/20 0.38
ALDH1A1 P00352 6/20 0.36
TP53 P04637 3/20 0.35
HIF1A Q16665 3/20 0.35
CYP3A4 P08684 2/20 0.35
HSD17B10 Q99714 1/20 0.35
ZDHHC20 Q5W0Z9 3/20 0.35
ZDHHC2 Q9UIJ5 2/20 0.35
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
THRA P10827 1/20 0.32

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
SCHEMBL21412821 0.86 TSHR (0.50) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL28352656 0.84 ZDHHC20 (0.49) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL3278402 0.83 TSHR (0.45) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL2775308 0.82 TSHR (0.45) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL29781093 0.81 TSHR (0.44) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL28457262 0.80 TSHR (0.46) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL745846 0.78 TSHR (0.41) TSHRHPGDTHRBALDH1A1TP53
Butane SCHEMBL1325593 0.76 TSHR (0.47) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL20496122 0.75 TSHR (0.43) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL27474256 0.74 TSHR (0.42) TSHRHPGDTHRBALDH1A1TP53

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
JP-3081310-A None JP disclosed
CN-108473798-B Acrylic copolymer for electrodeposition paint and process for producing the same 株式会社KCC 2020-06-12 CN disclosed
JP-H0381310-A AMPHOTERIC ELECTROLYTE HYDROPHILIC POLYMER, THEIR PREPARATION AND THEIR USE AS ABSORBENT SOC FR HOECHST 1991-04-05 JP disclosed