SCHEMBL4048879

SCHEMBL4048879

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.50
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
NPC1 O15118 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAOA P21397 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
SCHEMBL4052995 0.85 RXRA (0.61) RAB9ARXRARXRBSMN1; SMN2ALDH1A1
SCHEMBL4048858 0.85 RXRA (0.61) RAB9ARXRARXRBSMN1; SMN2ALDH1A1
SCHEMBL4061167 0.81 RAB9A (0.53) RAB9ARXRARXRBSMN1; SMN2ALDH1A1
SCHEMBL4053578 0.81 RAB9A (0.53) RAB9ARXRARXRBSMN1; SMN2ALDH1A1
SCHEMBL23223734 0.81 RAB9A (0.69) RAB9ASMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL11614936 0.81 RAB9A (0.69) RAB9ASMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL4055268 0.79 FFAR1 (0.56) RAB9ARXRARXRBSMN1; SMN2ALDH1A1
SCHEMBL4057146 0.79 FFAR1 (0.56) RAB9ARXRARXRBSMN1; SMN2ALDH1A1
SCHEMBL4052664 0.79 RAB9A (0.55) RAB9ARXRARXRBSMN1; SMN2ALDH1A1
SCHEMBL4053482 0.79 RAB9A (0.55) RAB9ARXRARXRBSMN1; SMN2ALDH1A1

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