SCHEMBL4052071

SCHEMBL4052071

CCC(CC)Oc1cccc(COc2ccc(C=O)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.53
MAOB P27338 8/20 0.51
MAOA P21397 6/20 0.51
NPC1 O15118 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
SPHK2 Q9NRA0 2/20 0.47
SPHK1 Q9NYA1 2/20 0.47
PTPN1 P18031 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
TP53 P04637 1/20 0.45
PKM P14618 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.45
LMNA P02545 2/20 0.44
FFAR1 O14842 1/20 0.44
LCK P06239 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL4048710 0.85 ALDH1A1 (0.53) RAB9AMAOBMAOANPC1TDP1
SCHEMBL6687219 0.82 MAOB (0.66) RAB9AMAOBMAOANPC1TDP1
SCHEMBL8545870 0.81 RAB9A (0.71) RAB9AMAOBMAOANPC1TDP1
SCHEMBL1164139 0.80 MAOB (0.74) RAB9AMAOBMAOANPC1TDP1
SCHEMBL4052076 0.79 MAOA (0.54) RAB9AMAOBMAOANPC1TDP1
SCHEMBL12577967 0.78 RAB9A (0.62) RAB9AMAOBMAOANPC1TDP1
SCHEMBL1554533 0.78 RAB9A (0.58) RAB9AMAOBMAOANPC1TDP1
SCHEMBL4048430 0.78 ALDH1A3 (0.62) SMN1; SMN2LMNAALDH1A1MAPTHPGD
SCHEMBL13220846 0.77 MAOB (0.76) RAB9AMAOBMAOANPC1TDP1
SCHEMBL12578075 0.77 RAB9A (0.63) RAB9AMAOBMAOANPC1TDP1

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-2009109999-A1 NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS LUPIN LIMITED (IN) 2009-09-11 WO disclosed