SCHEMBL6483355

SCHEMBL6483355

CCOC(=O)C(CC)(CCOCc1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.46
ALDH1A1 P00352 5/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RECQL P46063 1/20 0.43
PIN1 Q13526 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TSHR P16473 2/20 0.39
PPID Q08752 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL9115091 0.92 MMP8 (0.50) MMP8ALDH1A1LMNASMN1; SMN2CYP1A2
SCHEMBL9115819 0.88 MMP8 (0.47) MMP8ALDH1A1LMNASMN1; SMN2CYP1A2
SCHEMBL6131620 0.85 KMT2A (0.45) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL14782773 0.84 L3MBTL1 (0.46) MMP8ALDH1A1LMNASMN1; SMN2CYP1A2
SCHEMBL7910569 0.83 MMP8 (0.43) MMP8ALDH1A1LMNASMN1; SMN2CYP1A2
SCHEMBL9116769 0.83 MMP8 (0.57) MMP8ALDH1A1LMNASMN1; SMN2RECQL
SCHEMBL6938826 0.83 ALDH1A1 (0.47) MMP8ALDH1A1LMNASMN1; SMN2CYP1A2
SCHEMBL20076113 0.82 MMP8 (0.48) MMP8ALDH1A1LMNASMN1; SMN2CYP1A2
SCHEMBL8609385 0.81 L3MBTL1 (0.47) MMP8ALDH1A1SMN1; SMN2RECQLPIN1
SCHEMBL8068619 0.81 L3MBTL1 (0.47) ALDH1A1LMNAMEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6974802-B2 Treatment of viral infections using prodrugs of 2′,3-dideoxy,3′-fluoroguanosine MEDIVIR AB (SE) 2005-12-13 US disclosed
US-6458772-B1 Prodrugs MEDIVIR AB (SE) 2002-10-01 US disclosed