SCHEMBL29220176

SCHEMBL29220176

C=CCC(Cl)(C(=O)OCC(C)C)C(=O)OCC(C)C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.48
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 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
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 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) TSHRALDH1A1TDP1KDM4EGLA
SCHEMBL29220315 0.80 TSHR (0.50) TSHRALDH1A1TDP1KDM4EGLA
SCHEMBL20880602 0.80 TSHR (0.50) TSHRALDH1A1TDP1KDM4EGLA
SCHEMBL29220131 0.79 PKM (0.36) TSHRALDH1A1KDM4EGAAHSD17B10
SCHEMBL29220187 0.79 TSHR (0.48) TSHRALDH1A1TDP1KDM4EGLA
SCHEMBL29220164 0.79 TSHR (0.48) TSHRALDH1A1TDP1KDM4EGLA
SCHEMBL29220137 0.78 MEN1 (0.39) TSHRTDP1USP2LMNACYP3A4
SCHEMBL29220136 0.75 TSHR (0.44) TSHRALDH1A1TDP1KDM4EGLA
SCHEMBL5611252 0.74 TSHR (0.45) TSHRALDH1A1TDP1KDM4EGAA
SCHEMBL11341798 0.74 TSHR (0.45) TSHRALDH1A1TDP1KDM4EGAA

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