SCHEMBL27916634

SCHEMBL27916634

Cc1cc(Br)cc2c1O[C@@H](C(F)(F)F)C(C(=O)O)=C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 1.00
PTGS1 P23219 11/20 0.76

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
SCHEMBL16893568 1.00 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5647446 1.00 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL16550561 0.91 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL19097652 0.91 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL16893746 0.88 PTGS2 (0.79) PTGS2PTGS1
SCHEMBL16893748 0.88 PTGS2 (0.79) PTGS2PTGS1
SCHEMBL6094390 0.87 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL212858 0.87 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL29528023 0.87 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL5170012 0.86 PTGS2 (1.00) PTGS2PTGS1

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
CN-103012350-B Synthetic method of benzopyran chiral compound GUANGZHOU INST BIOMED & HEALTH 2015-02-04 CN disclosed
CN-103012350-A Synthetic method of benzopyran chiral compound GUANGZHOU INST BIOMED & HEALTH 2013-04-03 CN disclosed