SCHEMBL7125261

SCHEMBL7125261

CCC(=O)O[C@@H]1CCc2cc(O)ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
KMT2A Q03164 6/20 0.56
MEN1 O00255 5/20 0.56
CYP3A4 P08684 5/20 0.56
ALOX15 P16050 3/20 0.56
TP53 P04637 3/20 0.56
MAPK1 P28482 3/20 0.56
ESR1 P03372 8/20 0.46
ESR2 Q92731 6/20 0.46
LMNA P02545 6/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PGR P06401 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
AR P10275 2/20 0.44
PTGS1 P23219 2/20 0.44
PDE3A Q14432 2/20 0.44
POLB P06746 1/20 0.44
CHRM1 P11229 1/20 0.44
TBXA2R P21731 1/20 0.44
ATM Q13315 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
SCHEMBL27607299 0.89 ESR1 (0.50) MAPTKMT2AMEN1CYP3A4ALOX15
SCHEMBL5727621 0.87 MAPT (0.59) MAPTKMT2AMEN1CYP3A4ALOX15
SCHEMBL6206994 0.84 MAPK1 (0.53) MAPTKMT2AMEN1CYP3A4ALOX15
SCHEMBL5727619 0.81 ESR1 (0.48) MAPTKMT2AMEN1CYP3A4ALOX15
SCHEMBL11764887 0.81 IDO1 (0.51) MTNR1AMTNR1B
SCHEMBL27765661 0.80 CA12 (0.43) MAPTKMT2AMEN1CYP3A4ALOX15
SCHEMBL27649490 0.74 CYP11B1 (0.43) MAPTKMT2AMEN1CYP3A4ALOX15
SCHEMBL8588897 0.73 ESR1 (0.45) KMT2AMEN1CYP3A4ALOX15MAPK1
SCHEMBL28542001 0.73 CYP3A4 (0.39) MAPTKMT2AMEN1CYP3A4ALOX15
SCHEMBL27984983 0.73 KMT2A (0.44) MAPTKMT2AMEN1CYP3A4ALOX15

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-2004011446-A1 INDANE, DIHYDROBENZOFURAN, AND TETRAHYDRONAPHTHALENE CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS ANTIDIABETICS BAYER PHARMACEUTICALS CORPORATION (US) 2004-02-05 WO disclosed