SCHEMBL14368114

SCHEMBL14368114

CCC(=O)C(O)(Cc1ccccc1)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
OPRM1 P35372 1/20 0.51
OPRD1 P41143 1/20 0.51
MAPT P10636 5/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
SLC13A5 Q86YT5 1/20 0.44
POLB P06746 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 2/20 0.43
ESR1 P03372 1/20 0.43
LMNA P02545 3/20 0.42
CTDSP1 Q9GZU7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL5635160 0.89 ALDH1A1 (0.48) SMN1; SMN2OPRM1OPRD1MAPTL3MBTL1
SCHEMBL31127464 0.82 SMN1; SMN2 (0.46) SMN1; SMN2OPRM1OPRD1MAPTL3MBTL1
SCHEMBL6258992 0.80 ALDH1A1 (0.41) SMN1; SMN2MAPTL3MBTL1SLC13A5POLB
SCHEMBL1556873 0.80 SMN1; SMN2 (0.43) SMN1; SMN2OPRM1OPRD1MAPTL3MBTL1
SCHEMBL30660943 0.76 MAOB (0.49) SMN1; SMN2OPRM1OPRD1MAPTL3MBTL1
SCHEMBL16313288 0.76 SMN1; SMN2 (0.51) SMN1; SMN2MAPTL3MBTL1MEN1KMT2A
SCHEMBL2899040 0.74 LMNA (0.56) SMN1; SMN2MAPTL3MBTL1MEN1KMT2A
SCHEMBL172556 0.73 TMEM97 (0.45) SMN1; SMN2MAPTL3MBTL1POLBMEN1
SCHEMBL14003728 0.73 SMN1; SMN2 (0.51) SMN1; SMN2MAPTL3MBTL1MEN1KMT2A
Butanone SCHEMBL27655611 0.72 LMNA (0.63) SMN1; SMN2MAPTL3MBTL1POLBMEN1

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-7291654-B2 Storage stability of photoinitiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-11-06 US disclosed