SCHEMBL4053482

SCHEMBL4053482

CC(C)Cc1ccc(COc2ccc(C=O)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.55
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
NPC1 O15118 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALDH1A3 P47895 1/20 0.47
MAOB P27338 5/20 0.47
MAOA P21397 4/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PPARA Q07869 1/20 0.46
KDM4E B2RXH2 1/20 0.45
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN11 Q06124 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44

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
SCHEMBL4052664 0.87 RAB9A (0.55) RAB9AALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL23223734 0.86 RAB9A (0.69) RAB9AALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL11614936 0.86 RAB9A (0.69) RAB9AALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL4048884 0.85 RAB9A (0.50) RAB9AALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL4052107 0.84 ALDH1A1 (0.56) RAB9AALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL44697 0.84 TYR (0.52) RAB9AALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL4052995 0.84 RXRA (0.61) RAB9AALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL4048858 0.84 RXRA (0.61) RAB9AALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL4052838 0.82 HPGD (0.57) RAB9AALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL13462927 0.81 SMN1; SMN2 (0.75) RAB9AALDH1A1SMN1; SMN2LMNAMAPT

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
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