SCHEMBL4048710

SCHEMBL4048710

CCC(CC)Oc1ccc(COc2ccc(C=O)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 3/20 0.53
MAPT P10636 2/20 0.53
HPGD P15428 1/20 0.53
RAB9A P51151 4/20 0.52
ALDH1A3 P47895 1/20 0.49
NPC1 O15118 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN11 Q06124 1/20 0.46
MAOA P21397 4/20 0.44
MAOB P27338 4/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42

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
SCHEMBL4048430 0.87 ALDH1A3 (0.62) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL4052071 0.85 RAB9A (0.53) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL11614936 0.83 RAB9A (0.69) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL23223734 0.83 RAB9A (0.69) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL8372769 0.83 ALDH1A3 (0.53) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL4054280 0.82 SMN1; SMN2 (0.75) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL13462927 0.82 SMN1; SMN2 (0.75) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL4055268 0.82 FFAR1 (0.56) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL4057146 0.82 FFAR1 (0.56) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL4049963 0.81 RAB9A (0.49) ALDH1A1SMN1; SMN2LMNAMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009109998-A1 NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS LUPIN LIMITED (IN) 2009-09-11 WO disclosed
WO-2009109999-A1 NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS LUPIN LIMITED (IN) 2009-09-11 WO disclosed
WO-2009109999-A1 NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS LUPIN LIMITED (IN) 2009-09-11 WO disclosed
WO-2009109998-A1 NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS LUPIN LIMITED (IN) 2009-09-11 WO disclosed