SCHEMBL8537425

SCHEMBL8537425

O=C(O)C(OC1CCCCC1)c1cc(O)c(SCc2ccccc2)c(=O)o1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
DAO P14920 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
PPARG P37231 2/20 0.32
MAOB P27338 2/20 0.32

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
SCHEMBL8537422 0.78 ALDH1A1 (0.41) MEN1KMT2ANPC1RAB9ACA12
SCHEMBL8336068 0.77 PPARG (0.31) DAOPPARGPPARA
SCHEMBL8537419 0.73 RAPGEF4 (0.34) KMT2ANPC1RAB9ACA12CA1
SCHEMBL8538467 0.71 PPARG (0.37) MEN1KMT2ACA12CA1CA2
SCHEMBL8343243 0.69 ADORA3 (0.34) NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL6954315 0.69 DAO (0.34) DAOSMN1; SMN2PPARG
SCHEMBL11788874 0.69 DAO (0.43) MEN1KMT2ADAOSMN1; SMN2
SCHEMBL8336040 0.68 KDM6B (0.30) KDM6BKDM4AKDM4DHIF1ANKDM5B
SCHEMBL6954786 0.68 SMN1; SMN2 (0.50) MEN1KMT2ACA12CA1CA2
SCHEMBL6958143 0.67 HTR2B (0.49) CA12CA1CA2CA7CA13

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5808062-A AIDS THERAPY WARNER-LAMBERT COMPANY (US) 1998-09-15 US claimed
US-5808062-A AIDS THERAPY WARNER-LAMBERT COMPANY (US) 1998-09-15 US disclosed