SCHEMBL7879327

SCHEMBL7879327

COc1ccc(SSc2ccc(OC)cc2C(=O)O)c(C=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.47
TRIM24 O15164 1/20 0.46
TYR P14679 1/20 0.46
TRIM33 Q9UPN9 1/20 0.46
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 5/20 0.43
POLB P06746 4/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 1/20 0.43
AKR1C3 P42330 4/20 0.41
AKR1C2 P52895 4/20 0.41
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
JUN P05412 1/20 0.39
NFKB1 P19838 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39

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
SCHEMBL823582 0.88 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1KDM4EPOLBLMNA
SCHEMBL8624080 0.86 ERN1 (0.59) ERN1TRIM24TYRTRIM33ALDH1A1
SCHEMBL12264144 0.82 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1KDM4EPOLBLMNA
SCHEMBL10307884 0.81 POLB (0.45) SMN1; SMN2ALDH1A1KDM4EPOLBLMNA
SCHEMBL29955976 0.80 TRIM24 (0.61) ERN1SMN1; SMN2TRIM24TYRTRIM33
SCHEMBL548189 0.80 TRIM24 (0.61) ERN1SMN1; SMN2TRIM24TYRTRIM33
SCHEMBL4733806 0.80 ERN1 (0.61) ERN1SMN1; SMN2TRIM24TYRTRIM33
SCHEMBL11777736 0.77 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1KDM4EPOLBLMNA
SCHEMBL30138984 0.76 ERN1 (0.56) ERN1TRIM24TYRTRIM33ALDH1A1
SCHEMBL826392 0.75 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1KDM4EPOLBLMNA

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-2010120382-A1 COMPOUNDS AND METHODS FOR MODULATING ACTIVITY OF CALCIUM RELEASE CHANNELS STATE OF OREGON BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF PORTLAND STATE UNIVERSITY (US) 2010-10-21 WO disclosed