SCHEMBL29220187

SCHEMBL29220187

C=CCC(F)(C(=O)OCC(C)C)C(=O)OCC(C)C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 1/20 0.33
NR1H3 Q13133 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
RECQL P46063 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
SCHEMBL3960417 0.81 TSHR (0.52) TSHRALDH1A1GAASMN1; SMN2TDP1
SCHEMBL20880602 0.80 TSHR (0.50) TSHRALDH1A1GAASMN1; SMN2TDP1
SCHEMBL29220315 0.80 TSHR (0.50) TSHRALDH1A1GAASMN1; SMN2TDP1
SCHEMBL10436411 0.79 MAPK1 (0.39) TSHRALDH1A1GAAMAPK1KDM4E
SCHEMBL29220164 0.79 TSHR (0.48) TSHRALDH1A1GAASMN1; SMN2TDP1
SCHEMBL29220176 0.79 TSHR (0.48) TSHRALDH1A1GAASMN1; SMN2TDP1
SCHEMBL29220405 0.78 PTPN1 (0.34) TSHRTDP1
SCHEMBL29220136 0.75 TSHR (0.44) TSHRALDH1A1GAATDP1KDM4E
SCHEMBL5569394 0.74 TSHR (0.45) TSHRALDH1A1GAASMN1; SMN2MAPK1
SCHEMBL5604621 0.74 TSHR (0.45) TSHRALDH1A1GAASMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118108878-A Organic polymer carrier and preparation method and application thereof 中国石油天然气股份有限公司 2024-05-31 CN claimed
CN-118108878-A Organic polymer carrier and preparation method and application thereof 中国石油天然气股份有限公司 2024-05-31 CN disclosed