SCHEMBL6918461

SCHEMBL6918461

CCC(F)(F)C(=O)OC1CCc2cc(OC)ccc21

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 2/20 0.46
MTNR1A P48039 8/20 0.45
NQO2 P16083 7/20 0.45
MTNR1B P49286 7/20 0.45
SLC6A9 P48067 1/20 0.44
PPARD Q03181 2/20 0.43
FFAR1 O14842 1/20 0.42
ESR1 P03372 2/20 0.41
ESR2 Q92731 1/20 0.41
SRD5A1 P18405 2/20 0.40

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
SCHEMBL2740691 0.87 PPARD (0.44) MTNR1ANQO2MTNR1BSLC6A9PPARD
SCHEMBL2740675 0.80 TAS1R3 (0.44) MTNR1ANQO2MTNR1BPPARD
SCHEMBL7123434 0.79 TUBB4A (0.48) MTNR1ANQO2MTNR1BSLC6A9PPARD
SCHEMBL2740671 0.77 PPARD (0.44) MTNR1ANQO2MTNR1BSLC6A9PPARD
SCHEMBL5726773 0.77 MTNR1B (0.52) MTNR1ANQO2MTNR1BSLC6A9PPARD
SCHEMBL6918438 0.77 PPARD (0.44) MTNR1ANQO2MTNR1BSLC6A9PPARD
SCHEMBL15082055 0.75 PPARD (0.42) MTNR1ANQO2MTNR1BSLC6A9PPARD
SCHEMBL15082056 0.73 ESR1 (0.46) MTNR1AMTNR1BSLC6A9PPARDESR1
SCHEMBL23366123 0.73 PPARD (0.43) MTNR1ANQO2MTNR1BSLC6A9PPARD
SCHEMBL5462704 0.72 ESR1 (0.47) MTNR1BESR1ESR2SRD5A1

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