SCHEMBL28857096

SCHEMBL28857096

COC(=O)C1(C)CC1(C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
FFAR3 O14843 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
LMNA P02545 2/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
HTT P42858 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL28710888 0.90 MEN1 (0.50) MEN1KMT2ANPSR1LMNACYP3A4
SCHEMBL301061 0.82 FFAR3 (0.47) MEN1KMT2AFFAR3NPSR1LMNA
SCHEMBL19307390 0.82 FFAR3 (0.47) MEN1KMT2AFFAR3NPSR1LMNA
SCHEMBL30932975 0.79 FFAR3 (0.45) MEN1KMT2AFFAR3NPSR1LMNA
SCHEMBL29213247 0.79 FFAR3 (0.45) MEN1KMT2AFFAR3NPSR1LMNA
SCHEMBL3341865 0.77 MEN1 (0.48) MEN1KMT2ANPSR1LMNACYP3A4
SCHEMBL8437637 0.74 FFAR3 (0.41) FFAR3NPSR1LMNACYP3A4CYP2C19
SCHEMBL11941497 0.73 MEN1 (0.46) MEN1KMT2ANPSR1LMNACYP3A4
SCHEMBL11941449 0.73 MEN1 (0.46) MEN1KMT2ANPSR1LMNACYP3A4
SCHEMBL6005836 0.73 CYP3A4 (0.48) MEN1KMT2ANPSR1LMNACYP3A4

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-118032995-A Method for detecting 1, 2-dimethylcyclopropane-1, 2-dicarboxylic acid 江西禾益化工股份有限公司 2024-05-14 CN disclosed
CN-116836105-A Preparation method of procymidone 北京颖泰嘉和生物科技股份有限公司 2023-10-03 CN disclosed
CN-116836056-A Process for preparing dimethyl 1, 2-dimethylcyclopropane-1, 2-dicarboxylate 北京颖泰嘉和生物科技股份有限公司 2023-10-03 CN disclosed
CN-116836056-A Process for preparing dimethyl 1, 2-dimethylcyclopropane-1, 2-dicarboxylate 北京颖泰嘉和生物科技股份有限公司 2023-10-03 CN disclosed
CN-114230462-B Synthesis process of intermediate of procymidone bactericide original drug 如东县华盛化工有限公司 2022-10-11 CN disclosed