SCHEMBL28436612

SCHEMBL28436612

CC(C)(C)OP(=O)(OCOc1cc(CC(NC(=O)OCc2ccccc2)C(=O)O)ccc1OCc1ccccc1)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.49
ITGA2B P08514 10/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ITGAV P06756 1/20 0.46
MME P08473 2/20 0.44
ECE1 P42892 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
KIFC1 Q9BW19 1/20 0.43
CTSK P43235 1/20 0.43
GPR132 Q9UNW8 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL28441360 1.00 ITGB3 (0.49) ITGB3ITGA2BMEN1KMT2AITGAV
SCHEMBL17685861 0.94 KYNU (0.48) ITGB3ITGA2BMEN1KMT2ASMN1; SMN2
SCHEMBL17685911 0.94 KYNU (0.48) ITGB3ITGA2BMEN1KMT2ASMN1; SMN2
SCHEMBL17685862 0.94 KYNU (0.48) ITGB3ITGA2BMEN1KMT2ASMN1; SMN2
SCHEMBL17685910 0.94 KYNU (0.48) ITGB3ITGA2BMEN1KMT2ASMN1; SMN2
SCHEMBL17695789 0.87 MEN1 (0.46) ITGB3ITGA2BMEN1KMT2AITGAV
SCHEMBL17695787 0.87 MEN1 (0.46) ITGB3ITGA2BMEN1KMT2AITGAV
SCHEMBL19986477 0.85 KYNU (0.48) ITGB3ITGA2BMEN1KMT2ACTSK
SCHEMBL17693642 0.85 KYNU (0.48) ITGB3ITGA2BMEN1KMT2ACTSK
SCHEMBL17693636 0.85 KYNU (0.48) ITGB3ITGA2BMEN1KMT2ACTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111494395-B Carbidopa and levodopa prodrugs and their use for treating parkinson's disease 艾伯维公司 2024-06-21 CN disclosed
CN-111454290-B Carbidopa and levodopa prodrugs and their use for treating parkinson's disease 艾伯维公司 2022-12-23 CN disclosed
CN-111362980-B Carbidopa and levodopa prodrugs and their use for treating parkinson's disease 艾伯维公司 2022-10-18 CN disclosed
CN-111494395-A Carbidopa and levodopa prodrugs and their use for treating parkinson's disease 艾伯维公司 2020-08-07 CN disclosed
CN-111454290-A Carbidopa and levodopa prodrugs and their use for treating parkinson's disease 艾伯维公司 2020-07-28 CN disclosed
CN-111362980-A Carbidopa and levodopa prodrugs and their use for treating parkinson's disease 艾伯维公司 2020-07-03 CN disclosed