SCHEMBL15623366

SCHEMBL15623366

COc1cc[c]c(-c2c(OC)cccc2OC)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA12 O43570 1/20 0.38
CA4 P22748 1/20 0.38
CA14 Q9ULX7 1/20 0.38
ODC1 P11926 1/20 0.38
NFE2L2 Q16236 5/20 0.38
TOP1 P11387 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL6189538 0.78 ALDH1A1 (0.39) SMN1; SMN2CA1CA2CA7CA9
SCHEMBL8800959 0.76 TOP1 (0.40) SMN1; SMN2CA1CA2CA7CA9
SCHEMBL11858211 0.75 P2RX7 (0.43) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL10634123 0.74 ACHE (0.42) SMN1; SMN2CA1CA2CA9CA12
SCHEMBL8908078 0.73 CA1 (0.41) SMN1; SMN2CA1CA2CA7CA9
SCHEMBL4024400 0.73 IDO1 (0.40) SMN1; SMN2CA1CA2CA7CA9
SCHEMBL8800389 0.73 CA12 (0.44) SMN1; SMN2CA1CA2CA7CA9
Bromide SCHEMBL1307432 0.73 SMN1; SMN2 (0.56) SMN1; SMN2CA1CA2CA7CA9
SCHEMBL25434306 0.72 CA1 (0.61) SMN1; SMN2CA1CA2CA7CA9
SCHEMBL151213 0.72 CA1 (0.61) SMN1; SMN2CA1CA2CA7CA9

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
WO-2014047447-A2 FTO MODULATING COMPOUNDS AND METHODS OF USE MIDWESTERN UNIVERSITY (US) 2014-03-27 WO disclosed