SCHEMBL21646267

SCHEMBL21646267

Cc1cc(C)c2c(c1C)OC(C)(C=O)CC2

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ ALOX5 P09917 3/20 0.32

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
SCHEMBL10438632 0.84 PTGS1 (0.31) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL19910935 0.80 PTGS1 (0.43) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL837194 0.78 HPGD (0.37) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL11621017 0.78 ALOX5 (0.39) CYP3A4TSHRALOX5
SCHEMBL5460830 0.77 PTGS1 (0.36) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL7501769 0.75 ALOX5 (0.38) PTGS1PTGS2CYP3A4TSHRALOX5
SCHEMBL3035038 0.75 CYP3A4 (0.60) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL13979807 0.75 CYP3A4 (0.60) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL21344344 0.74 PTGS1 (0.38) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL23961349 0.74 PTGS1 (0.48) PTGS1PTGS2CYP1A2CYP3A4TSHR

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
EP-3829296-A1 COMPOSITIONS FOR TRANSPORTATION AND/OR CRYOPRESERVATION OF CELLS AND/OR TISSUES Acorn Biolabs, Inc. (CA) 2021-06-09 — — EP disclosed
WO-2020024045-A1 COMPOSITIONS FOR TRANSPORTATION AND/OR CRYOPRESERVATION OF CELLS AND/OR TISSUES ACORN BIOLABS, INC. (CA) 2020-02-06 — — WO disclosed
WO-2020023897-A1 STABILIZED COMPOSITIONS COMPRISING LEUCO COMPOUNDS MILLIKEN & COMPANY (US) 2020-01-30 — — WO disclosed
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