SCHEMBL27901009

SCHEMBL27901009

C[Si](C)(C)c1cccc2c1C=C(C(=O)O)C(C(F)(F)F)O2

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.60
PTGS1 P23219 16/20 0.60

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
SCHEMBL5647300 0.85 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL5644944 0.83 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL27900992 0.83 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL6092923 0.82 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL6094173 0.82 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL27648337 0.78 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL5642994 0.77 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL5769351 0.77 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL5645733 0.77 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL5647718 0.77 PTGS2 (0.67) 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-103044477-B Trimethyl silicane replaces benzopyrans compounds and application thereof GUANGZHOU INSTITUTES OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2015-08-05 CN disclosed
CN-103044477-A Trimethyl silicon substituted benzopyran compound and application thereof GUANGZHOU INST BIOMED & HEALTH 2013-04-17 CN disclosed