SCHEMBL1570198

SCHEMBL1570198

N#Cc1ccc2c(c1)C(C(=O)O)CCO2

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 11/20 0.43
HCRTR2 O43614 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL5847468 0.84 USP2 (0.42) HCRTR2KDM4E
SCHEMBL5847462 0.84 USP2 (0.42) HCRTR2KDM4E
SCHEMBL5847465 0.84 USP2 (0.42) HCRTR2KDM4E
SCHEMBL9150944 0.79 MAP3K14 (0.47) HCRTR2KDM4E
SCHEMBL1846189 0.78 MAP3K14 (0.50) PTGDR2
SCHEMBL1846438 0.78 PTGDR2 (0.45) PTGDR2
SCHEMBL1843412 0.78 ADRA2A (0.46) PTGDR2HCRTR2
SCHEMBL1266045 0.77 DRD2 (0.42) HCRTR2
SCHEMBL29243618 0.77 DRD2 (0.42) HCRTR2
Cyanate SCHEMBL27883107 0.77 PTGDR2 (0.41) PTGDR2

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
EP-2307397-A1 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES Array Biopharma, Inc. (US) 2011-04-13 EP disclosed