SCHEMBL3843889

SCHEMBL3843889

CCCOc1cc2cc(C(=O)c3ccc(C#N)cc3)c(=O)oc2cc1OCCC

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 3/20 0.53
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAOB P27338 5/20 0.47
CA9 Q16790 1/20 0.46
PKM P14618 2/20 0.45
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
MAOA P21397 2/20 0.41
MIF P14174 1/20 0.41
HPGD P15428 1/20 0.41
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL194110 0.83 ALDH1A1 (0.44) ALDH1A1KDM4ERAB9ASMN1; SMN2MEN1
SCHEMBL7789366 0.78 MAOB (0.48) ALDH1A1KDM4ERAB9ASMN1; SMN2MEN1
SCHEMBL2996332 0.76 ALDH1A1 (0.74) ALDH1A1KDM4ERAB9ASMN1; SMN2MEN1
SCHEMBL2989042 0.76 MAOB (0.76) ALDH1A1KDM4ERAB9ASMN1; SMN2MEN1
SCHEMBL2985343 0.74 PPARG (0.58) ALDH1A1KDM4ERAB9AMAOBCA9
SCHEMBL3042896 0.73 ALDH1A1 (0.83) ALDH1A1KDM4ERAB9ASMN1; SMN2MEN1
SCHEMBL51758 0.70 CYP3A4 (0.54) ALDH1A1KDM4ERAB9ASMN1; SMN2MEN1
SCHEMBL11217204 0.70 MAOB (0.55) ALDH1A1KDM4ERAB9ASMN1; SMN2MEN1
SCHEMBL4533678 0.69 ALDH1A1 (0.60) ALDH1A1HPGD
SCHEMBL11096762 0.69 ALDH1A1 (0.79) ALDH1A1KDM4ERAB9ASMN1; SMN2MEN1

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
EP-2116527-A1 OXIME COMPOUND, PHOTOSENSITIVE COMPOSITION, COLOR FILTER, METHOD FOR PRODUCTION OF THE COLOR FILTER, AND LIQUID CRYSTAL DISPLAY ELEMENT FUJIFILM Corporation (JP) 2009-11-11 EP disclosed