SCHEMBL29220165

SCHEMBL29220165

C=CCC(C)(C(=O)OC(C)C)C(=O)OC(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HCAR2 Q8TDS4 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
CYP3A4 P08684 2/20 0.30
MAPT P10636 2/20 0.30
CYP2C19 P33261 2/20 0.30
USP2 O75604 1/20 0.30
ABCB11 O95342 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
CYP2C9 P11712 1/20 0.30
ADRB3 P13945 1/20 0.30
HPGD P15428 1/20 0.30
CNR1 P21554 1/20 0.30
ACHE P22303 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR2A P28223 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
SCHEMBL819845 0.82 TSHR (0.36) TSHRMEN1KMT2AHCAR2TDP1
SCHEMBL29220405 0.78 PTPN1 (0.34) TSHRMEN1KMT2AHCAR2TDP1
SCHEMBL29220137 0.78 MEN1 (0.39) TSHRMEN1KMT2AHCAR2TDP1
SCHEMBL29220419 0.78 MAPT (0.35) TSHRMEN1KMT2AHCAR2TDP1
SCHEMBL29220315 0.77 TSHR (0.50) TSHRTDP1CYP3A4MAPTUSP2
SCHEMBL3181055 0.77 CYP2C19 (0.38) TSHRTDP1MAPTCYP2C19LMNA
SCHEMBL9306468 0.75 ALDH1A1 (0.32) TSHRMAPTLMNAHPGD
SCHEMBL29220263 0.74 LMNA (0.33) TSHRLMNA
SCHEMBL3977030 0.73 PKM (0.44) TSHRMEN1KMT2ACYP3A4CYP2C19
SCHEMBL28728318 0.73 TDP1 (0.40) TSHRMEN1KMT2AHCAR2TDP1

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