SCHEMBL6645779

SCHEMBL6645779

COc1ccc2c(c1)CCC2CCCC(=O)O

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 8/20 0.63
NQO2 P16083 8/20 0.52
MTNR1A P48039 8/20 0.52
MTNR1B P49286 8/20 0.52
PPARA Q07869 1/20 0.51

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
SCHEMBL6645774 1.00 PPARD (0.63) PPARDNQO2MTNR1AMTNR1BPPARA
SCHEMBL4624248 0.93 SIGMAR1 (0.59)
SCHEMBL1980554 0.89 PPARD (0.56) PPARDNQO2MTNR1AMTNR1B
SCHEMBL4622325 0.85 SIGMAR1 (0.56) PPARD
SCHEMBL4623118 0.84 CYP24A1 (0.63) PPARD
SCHEMBL2995086 0.84 PPARD (0.80) PPARDPPARA
SCHEMBL820621 0.84 PPARD (0.80) PPARDPPARA
SCHEMBL821101 0.84 PPARD (0.80) PPARDPPARA
SCHEMBL8434825 0.81 CYP19A1 (0.60) PPARDNQO2MTNR1AMTNR1B
SCHEMBL7166421 0.81 CYP24A1 (0.61) PPARD

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