SCHEMBL9910049

SCHEMBL9910049

CCC(F)(F)Oc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.39
CA4 P22748 1/20 0.39
TSHR P16473 1/20 0.36
KCNA3 P22001 1/20 0.36
CHRNB2 P17787 2/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
CHRNA7 P36544 2/20 0.35
CHRNA4 P43681 2/20 0.35
CCR6 P51684 1/20 0.35
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL8369814 0.88 KIF11 (0.42) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL2970013 0.79 TSHR (0.38) LTA4HCA4TSHRKCNA3
SCHEMBL17133820 0.78 TSHR (0.31) TSHR
SCHEMBL8445343 0.78 ACHE (0.48) MAPK1L3MBTL1
SCHEMBL10430062 0.77 LTA4H (0.43) LTA4HTSHRMAPK1SLC6A4SLC6A2
SCHEMBL13330969 0.77 CHRM2 (0.44) TSHRMAPK1L3MBTL1
SCHEMBL18266103 0.75 KMT2A (0.56)
SCHEMBL8066263 0.75 LTA4H (0.34) LTA4HCA4KCNA3CHRNB2CHRNB4
SCHEMBL26673631 0.75 MAOB (0.45) TSHR
SCHEMBL3081094 0.74 LTA4H (0.40) LTA4HCA4TSHRKCNA3CHRNB2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012074980-A2 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISORDERS AND LIVER DISORDERS USING INDANE ACETIC ACID DERIVATIVES DARA BIOSCIENCES, INC. (US) 2012-06-07 WO disclosed
WO-2010141696-A1 METHODS OF TREATING OR PREVENTING PSORIASIS, AND/OR ALZHEIMER'S DISEASE USING INDANE ACETIC ACID DERIVATIVES DARA BIOSCIENCES, INC. (US) 2010-12-09 WO disclosed
EP-1414809-B1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION BAYER CORP (US) 2008-03-12 EP disclosed