SCHEMBL9858697

SCHEMBL9858697

C=CCOS(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.44
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 1/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTPRC P08575 1/20 0.34
CYP24A1 Q07973 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
RHOA P61586 1/20 0.33
LIG1 P18858 1/20 0.33
MAPT P10636 2/20 0.33
MAPK1 P28482 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL28788806 0.81 RECQL (0.47) CYP3A4ALDH1A1HSD17B10SMN1; SMN2MAPT
SCHEMBL1847694 0.76 CYP24A1 (0.32) ALDH1A1CYP24A1KDM4E
SCHEMBL1846008 0.76 CYP24A1 (0.32) ALDH1A1CYP24A1KDM4E
SCHEMBL28055998 0.73 CYP3A4 (0.38) CYP3A4ALDH1A1TSHRHSD17B10ALOX15
SCHEMBL7121824 0.73 APP (0.43) CYP3A4ALDH1A1TSHRHSD17B10MEN1
SCHEMBL1847285 0.73 CYP24A1 (0.31) CYP24A1
SCHEMBL3088326 0.73 EPHX1 (0.37) ALDH1A1TSHRCYP24A1LMNAHPGD
SCHEMBL11052511 0.72 TSHR (0.33) CYP3A4ALDH1A1TSHRALOX15LMNA
SCHEMBL25149290 0.72 TSHR (0.39) ALDH1A1TSHRHSD17B10SMN1; SMN2CYP24A1
SCHEMBL30364333 0.72 TSHR (0.39) ALDH1A1TSHRHSD17B10SMN1; SMN2CYP24A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110066292-B Method for preparing unsaturated propyl phosphite ester and phosphate ester 江苏长园华盛新能源材料有限公司 2022-02-15 CN claimed
CN-110066292-A The method for preparing unsaturated propylphosphite and phosphate 江苏长园华盛新能源材料有限公司 2019-07-30 CN claimed
EP-0405389-A1 Process for producing an aromatic compound Mitsubishi Chemical Corporation (JP) 1991-01-02 EP claimed
CN-110066292-B Method for preparing unsaturated propyl phosphite ester and phosphate ester 江苏长园华盛新能源材料有限公司 2022-02-15 CN disclosed
CN-110066292-A The method for preparing unsaturated propylphosphite and phosphate 江苏长园华盛新能源材料有限公司 2019-07-30 CN disclosed