SCHEMBL27720771

SCHEMBL27720771

CCCCC=CC(=O)O.[NaH]

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.55
F7 P08709 2/20 0.52
F3 P13726 2/20 0.52
PPARG P37231 5/20 0.48
PPARA Q07869 5/20 0.48
TERT O14746 3/20 0.47
PPARD Q03181 3/20 0.47
TOP1 P11387 3/20 0.47
MAPT P10636 2/20 0.47
BLM P54132 2/20 0.47
HSD17B10 Q99714 2/20 0.47
FABP4 P15090 2/20 0.47
GMNN O75496 1/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX15 P16050 1/20 0.47
APEX1 P27695 1/20 0.47

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
SCHEMBL193589 0.98
SCHEMBL3968467 0.98
SCHEMBL193588 0.98
SCHEMBL27873374 0.95 PTPN1 (0.55) PTPN1F7F3PPARGPPARA
Hydrochloric Acid SCHEMBL10893640 0.95 PTPN1 (0.55) PTPN1F7F3PPARGPPARA
Acetic Acid SCHEMBL27818848 0.93 PTPN1 (0.58) PTPN1F7F3PPARGPPARA
SCHEMBL21820812 0.93 PTPN1 (0.62) PTPN1F7F3PPARGPPARA
SCHEMBL21820811 0.93 PTPN1 (0.62) PTPN1F7F3PPARGPPARA
SCHEMBL9130191 0.91 F7 (0.64) PTPN1F7F3PPARGPPARA
Cyclopentane SCHEMBL1045041 0.91 PTPN1 (0.51) PTPN1F7F3PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101307015-A Process for preparing cilastatin sodium SHENZHEN HAIBIN PHARMACEUTICAL (CN) 2008-11-19 CN claimed
CN-115108934-B Preparation method of cilastatin intermediate sodium 珠海联邦制药股份有限公司 2024-02-06 CN disclosed
CN-115108934-A Preparation method of cilastatin intermediate sodium 珠海联邦制药股份有限公司 2022-09-27 CN disclosed
CN-101307015-A Process for preparing cilastatin sodium SHENZHEN HAIBIN PHARMACEUTICAL (CN) 2008-11-19 CN disclosed