SCHEMBL31070064

SCHEMBL31070064

COC(C(=O)O)C(OC)(C(=O)O)c1ccccc1C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 11/20 0.37
EDNRA P25101 11/20 0.37
NR1I2 O75469 1/20 0.37
KCNE1 P15382 1/20 0.37
KCNQ1 P51787 1/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.32

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
SCHEMBL6446346 0.74 GABRA1 (0.37) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL10334626 0.72 CES1 (0.38) POLBPPARGSMN1; SMN2L3MBTL1GAA
SCHEMBL31167360 0.72 ERCC5 (0.40) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL31097914 0.72 ERCC5 (0.40) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL4668126 0.71 KDM4E (0.38) PPARGSMN1; SMN2L3MBTL1GAA
SCHEMBL555425 0.71 KDM4E (0.38) PPARGSMN1; SMN2L3MBTL1GAA
SCHEMBL1162260 0.71 KDM4E (0.38) PPARGSMN1; SMN2L3MBTL1GAA
SCHEMBL10334825 0.68 CES1 (0.42) EDNRBEDNRANR1I2KCNE1KCNQ1
Dichloroacetic Acid SCHEMBL5874130 0.68 KMT2A (0.38) LMNASMN1; SMN2L3MBTL1GAA
SCHEMBL7186121 0.68 CYP1A2 (0.43) POLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119409612-A Resolution refining method of clemastine fumarate 南京斯泰尔医药科技有限公司 2025-02-11 CN claimed
CN-118851971-A Efficient synthesis method of clemastine fumarate 南京斯泰尔医药科技有限公司 2024-10-29 CN claimed
CN-118420658-B Preparation method of chiral triazine compound 天津辰欣药物研究有限公司 2024-09-20 CN claimed
CN-118420658-A Preparation method of chiral triazine compound 天津辰欣药物研究有限公司 2024-08-02 CN claimed
CN-119409612-A Resolution refining method of clemastine fumarate 南京斯泰尔医药科技有限公司 2025-02-11 CN disclosed
CN-118851971-A Efficient synthesis method of clemastine fumarate 南京斯泰尔医药科技有限公司 2024-10-29 CN disclosed
CN-118420658-B Preparation method of chiral triazine compound 天津辰欣药物研究有限公司 2024-09-20 CN disclosed
CN-118420658-A Preparation method of chiral triazine compound 天津辰欣药物研究有限公司 2024-08-02 CN disclosed