SCHEMBL8346264

SCHEMBL8346264

CC(C)(C)C1CCC(OC(=O)CC#N)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.52
APOBEC3G Q9HC16 1/20 0.52
HTT P42858 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 2/20 0.51
CYP19A1 P11511 1/20 0.50
MAPT P10636 4/20 0.46
GAA P10253 2/20 0.46
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 3/20 0.38
LIPA P38571 1/20 0.35
JAK1 P23458 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
JAK3 P52333 2/20 0.33
EPHX1 P07099 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 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
SCHEMBL11418612 0.90 APOBEC3A (0.42) APOBEC3AAPOBEC3GHTTSMN1; SMN2KDM4E
SCHEMBL5348250 0.86
SCHEMBL29142824 0.80 MAPT (0.62) APOBEC3AAPOBEC3GHTTSMN1; SMN2KDM4E
SCHEMBL16325497 0.79 APOBEC3A (0.58) APOBEC3AAPOBEC3GHTTSMN1; SMN2KDM4E
SCHEMBL28138013 0.79 CYP19A1 (0.59) APOBEC3AAPOBEC3GHTTSMN1; SMN2KDM4E
SCHEMBL9646620 0.79 NAAA (0.38) APOBEC3AAPOBEC3GHTTSMN1; SMN2KDM4E
SCHEMBL5354726 0.78 NAAA (0.42) APOBEC3AAPOBEC3GHTTSMN1; SMN2KDM4E
SCHEMBL5348431 0.78 NAAA (0.46) HTTSMN1; SMN2KDM4ECYP19A1MAPT
SCHEMBL9809370 0.77 APOBEC3A (0.56) APOBEC3AAPOBEC3GHTTSMN1; SMN2KDM4E
SCHEMBL3363236 0.77 APOBEC3A (0.56) APOBEC3AAPOBEC3GHTTSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5935563-A SUNSCREEN AGENT; 3,5-DIALKYL SUBSTITUTED 4-HYDROXYBENZYLIDENECYANOACETATE DERIVATIVE USED AS A COSMETIC BASF AKTIENGESELLSCHAFT (DE) 1999-08-10 US disclosed