SCHEMBL28002102

SCHEMBL28002102

C(=Cc1cc(COCC2CO2)cc(COCC2CO2)c1)COCC1CO1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
ALOX5 P09917 1/20 0.35
TSHR P16473 3/20 0.34
SIGMAR1 Q99720 7/20 0.34
HTR2A P28223 6/20 0.34
HTR2C P28335 6/20 0.34
HTR2B P41595 6/20 0.34
DRD2 P14416 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
HIF1A Q16665 1/20 0.33
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL28185451 0.82 TSHR (0.48) ALDH1A1TSHRSMN1; SMN2TP53CYP3A4
SCHEMBL3751458 0.80 ALDH1A1 (0.46) ALDH1A1TSHRSMN1; SMN2TP53CYP3A4
SCHEMBL16602090 0.77 TSHR (0.41) ALDH1A1TSHRSMN1; SMN2TP53CYP3A4
SCHEMBL1704962 0.76 SIGMAR1 (0.52) ALDH1A1SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL28002104 0.76 ALDH1A1 (0.37) ALDH1A1TSHRSMN1; SMN2TP53CYP3A4
SCHEMBL28002126 0.76 ALDH1A1 (0.37) ALDH1A1TSHRSMN1; SMN2TP53CYP3A4
SCHEMBL9267812 0.72 MGLL (0.41) ALDH1A1TSHRSMN1; SMN2TP53CYP3A4
SCHEMBL14397248 0.72 TSHR (0.52) ALDH1A1TSHRSMN1; SMN2TP53CYP3A4
SCHEMBL730323 0.72 TSHR (0.52) ALDH1A1TSHRSMN1; SMN2TP53CYP3A4
SCHEMBL27885560 0.71 TSHR (0.47) ALDH1A1ALOX5TSHRSMN1; SMN2TDP1

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
CN-102838578-B Salt and cured composition for color SUMITOMO CHEMICAL CO.,LTD. (JP) 2016-03-16 CN disclosed
CN-102372825-B Curable resin composition SUMITOMO CHEMICAL CO., LTD. (JP) 2015-11-04 CN disclosed
CN-102336873-B Curable resin composition SUMITOMO CHEMICAL CO 2015-03-11 CN disclosed