SCHEMBL4058623

SCHEMBL4058623

CCOC(=O)c1ccc(COc2ccc(C)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.69
PARP10 Q53GL7 2/20 0.68
MAPT P10636 3/20 0.64
ALDH1A1 P00352 3/20 0.64
MAPK1 P28482 1/20 0.64
RXRA P19793 1/20 0.60
RXRB P28702 1/20 0.60
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
ESR1 P03372 1/20 0.57
CA7 P43166 1/20 0.57
CA9 Q16790 1/20 0.57
ESR2 Q92731 1/20 0.57
CA14 Q9ULX7 1/20 0.57

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
SCHEMBL11601531 1.00 MAOB (0.69) MAOBPARP10MAPTALDH1A1MAPK1
SCHEMBL9808162 0.92 MAOB (0.71) MAOBPARP10MAPTALDH1A1MAPK1
SCHEMBL1303551 0.89 NPC1 (0.68) MAOBPARP10MAPTALDH1A1RXRA
SCHEMBL11603134 0.88 MAOB (0.68) MAOBPARP10MAPTALDH1A1MAPK1
SCHEMBL11601734 0.88 MAOB (0.68) MAOBPARP10MAPTALDH1A1RXRA
SCHEMBL11602775 0.88 MAOB (0.68) MAOBPARP10MAPTALDH1A1RXRA
SCHEMBL340618 0.88 MAOB (0.67) MAOBPARP10MAPTALDH1A1RXRA
SCHEMBL11602002 0.88 SMN1; SMN2 (0.61) MAOBMAPTALDH1A1RXRARXRB
SCHEMBL23084938 0.86 MAOB (0.71) MAOBPARP10MAPTALDH1A1MAPK1
SCHEMBL12353119 0.86 MAOB (0.71) MAOBPARP10MAPTALDH1A1MAPK1

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