SCHEMBL6839634

SCHEMBL6839634

O=C(O)CCC1CCc2cc(O)ccc21

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.57
ESR2 Q92731 8/20 0.57
NQO2 P16083 1/20 0.50
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
STS P08842 1/20 0.50
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HIF1A Q16665 1/20 0.47
FFAR1 O14842 1/20 0.46
CYP26A1 O43174 2/20 0.46
PPARD Q03181 3/20 0.43
CYP19A1 P11511 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
HTR6 P50406 1/20 0.42
PPARA Q07869 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
SCHEMBL2356852 0.84 FFAR1 (0.62) ESR1ESR2FFAR1PPARDPPARA
SCHEMBL3021109 0.84 FFAR1 (0.62) ESR1ESR2FFAR1PPARDPPARA
SCHEMBL3948386 0.84 FFAR1 (0.62) ESR1ESR2FFAR1PPARDPPARA
SCHEMBL14061950 0.81 CYP26A1 (0.67) NQO2MTNR1AMTNR1BCYP26A1CYP19A1
SCHEMBL7693619 0.81 ESR1 (0.54) ESR1ESR2STSLMNAMAPT
SCHEMBL7410004 0.80 ESR1 (0.62) ESR1ESR2NQO2MTNR1AMTNR1B
SCHEMBL1567103 0.80 MTNR1A (0.56) MTNR1AMTNR1BFFAR1PPARDHTR6
SCHEMBL8667329 0.79 GRIN2B (0.43) MAPTFFAR1PPARDHTR6PPARA
SCHEMBL8669494 0.78 MTNR1A (0.59) NQO2MTNR1AMTNR1BFFAR1
SCHEMBL28048794 0.77 ESR1 (0.59) ESR1ESR2NQO2MTNR1AMTNR1B

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
EP-1414809-A1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION Bayer Corporation (US) 2004-05-06 EP disclosed
WO-2003011842-A1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION BAYER PHARMACEUTICALS CORPORATION (US) 2003-02-13 WO disclosed