SCHEMBL7935368

SCHEMBL7935368

CC(C)(C)OCc1cccc(C=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.51
MAOB P27338 7/20 0.51
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
UNG P13051 1/20 0.37
SRC P12931 1/20 0.37
CCNB2 O95067 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
CCNB3 Q8WWL7 1/20 0.35
CYP2A6 P11509 1/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
POLB P06746 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
SCHEMBL28524488 0.86 MAOA (0.51) MAOAMAOBRAB9ANPC1TDP1
SCHEMBL18812345 0.83 TP53 (0.44) MAOAMAOBTDP1ALDH1A1SMN1; SMN2
SCHEMBL646850 0.81 IDO1 (0.42)
SCHEMBL1279762 0.80 MAOA (0.55) MAOAMAOBRAB9ANPC1TDP1
SCHEMBL30800165 0.80 MAOA (0.55) MAOAMAOBRAB9ANPC1TDP1
SCHEMBL3645563 0.78 MAOA (0.46) MAOAMAOBRAB9ANPC1TDP1
SCHEMBL4332449 0.78 MAOA (0.47) MAOAMAOBRAB9ANPC1TDP1
SCHEMBL254407 0.77 MAOA (0.53) MAOAMAOBRAB9ANPC1TDP1
SCHEMBL7672328 0.77 MAOA (0.53) MAOAMAOBRAB9ANPC1TDP1
SCHEMBL6522331 0.75 MAOA (0.65) MAOAMAOBRAB9ANPC1TDP1

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-6201156-B1 REACTING AN ETHER WITH NITROGEN MONOXIDE IN THE PRESENCE OF A CATALYST BEING COMPOSED OF AN IMIDE COMPOUND DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2001-03-13 US disclosed