SCHEMBL9130659

SCHEMBL9130659

CC1(C)OC(=O)C(=NO)C(=O)O1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 11/20 0.46
HTT P42858 1/20 0.46
PTPN1 P18031 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.38
ACP1 P24666 2/20 0.36
CDC25B P30305 2/20 0.36
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL30281115 0.75 LMNA (0.32) LMNAGAAMAPTALDH1A1HTT
SCHEMBL9730908 0.74
SCHEMBL18536620 0.71 ALDH1A1 (0.43) LMNAGAAMAPTALDH1A1HTT
SCHEMBL30281067 0.70 KDM4E (0.41) LMNAGAAMAPTALDH1A1HTT
SCHEMBL70825 0.67 PTPN1 (0.56) LMNAGAAMAPTALDH1A1HTT
SCHEMBL5171537 0.67 PTPN1 (0.45) LMNAALDH1A1PTPN1L3MBTL1RAB9A
SCHEMBL10360973 0.65 PTPN1 (0.43) LMNAGAAMAPTALDH1A1HTT
SCHEMBL18957266 0.65
SCHEMBL8194669 0.65 PTPN1 (0.59) LMNAGAAMAPTALDH1A1HTT
SCHEMBL13403500 0.65 PTPN1 (0.59) LMNAGAAMAPTALDH1A1HTT

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
WO-2017029397-A1 PROCESS FOR THE PREPARATION OF A PHARMACEUTICAL AGENT ZAKLADY FARMACEUTYCZNE POLPHARMA SA (PL) 2017-02-23 WO disclosed
EP-3133062-A1 PROCESS FOR THE PREPARATION OF A PHARMACEUTICAL AGENT Zaklady Farmaceutyczne Polpharma SA (PL) 2017-02-22 EP disclosed
US-5456904-A Sunscreens; sunblocks; antiinflammatories THE PROCTER & GAMBLE COMPANY (US) 1995-10-10 US disclosed
WO-1995000112-A1 PHOTOPROTECTION COMPOSITIONS COMPRISING CERTAIN CHELATING AGENTS THE PROCTER & GAMBLE COMPANY (US) 1995-01-05 WO disclosed