SCHEMBL9515698

SCHEMBL9515698

CC(C)(C)OC(=O)Cc1c[nH]cn1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.36
CCNB2 O95067 1/20 0.35
CCNE2 O96020 1/20 0.35
CDK1 P06493 1/20 0.35
CDK4 P11802 1/20 0.35
CCNB1 P14635 1/20 0.35
CCND1 P24385 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
MTNR1A P48039 4/20 0.35
MTNR1B P49286 4/20 0.35
MAPT P10636 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL28949328 0.85 L3MBTL1 (0.35) L3MBTL1MAPTTDP1KDM4EALDH1A1
SCHEMBL45123 0.81 KDM4E (0.46) MAPTKDM4EALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL44961 0.79 KDM4E (0.44) MAPTKDM4EALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL28503073 0.79 KDM4E (0.44) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL1286676 0.78
SCHEMBL1441637 0.78 KMT2A (0.44) TDP1KDM4EALDH1A1SMN1; SMN2
SCHEMBL25836666 0.78 L3MBTL1 (0.49) L3MBTL1MAPTTDP1KDM4EALDH1A1
SCHEMBL12391741 0.77 HSD11B1 (0.33)
SCHEMBL3002697 0.77 TSHR (0.45) L3MBTL1MAPTKDM4EALDH1A1NPC1
SCHEMBL12198591 0.76 NPSR1 (0.39) L3MBTL1MAPTTDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0266950-B1 Nor-statine and nor-cyclostatine polypeptides PFIZER (US) 1993-12-29 EP claimed
EP-0473337-A2 Nor-statine and nor-cyclostatine polypeptides in the treatment of ocular hypertension and glaucoma PFIZER INC. (US) 1992-03-04 EP claimed
CN-101679293-A Urocanic acid derivatives useful for the treatment of immune-related and inflammatory diseases VALETTA HEALTH B V 2010-03-24 CN disclosed
EP-0266950-B1 Nor-statine and nor-cyclostatine polypeptides PFIZER (US) 1993-12-29 EP disclosed
EP-0473337-A2 Nor-statine and nor-cyclostatine polypeptides in the treatment of ocular hypertension and glaucoma PFIZER INC. (US) 1992-03-04 EP disclosed