SCHEMBL9164905

SCHEMBL9164905

CC(C(=O)C(F)(F)F)c1ccc(O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 12/20 0.54
▸ ESR2 Q92731 11/20 0.54
▸ PDCD1 Q15116 1/20 0.46
▸ CD274 Q9NZQ7 1/20 0.46
▸ MAPT P10636 3/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ CRHBP P24387 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ APP P05067 1/20 0.41
▸ LMNA P02545 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ PGR P06401 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ AR P10275 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38

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
SCHEMBL3497505 0.84 GRM7 (0.43) ESR1ESR2LMNAKMT2APTGS2
SCHEMBL1033377 0.82 PTGS2 (0.47) MAPTSMN1; SMN2CYP2D6PTGS1DRD3
SCHEMBL11749792 0.76 ESR1 (0.56) ESR1ESR2PDCD1CD274MAPT
SCHEMBL28228309 0.75 ESR1 (0.46) ESR1ESR2PDCD1CD274MAPT
SCHEMBL288003 0.74 PTGS2 (0.63) ESR1ESR2PDCD1CD274CYP3A4
SCHEMBL892055 0.74 PTGS2 (0.63) ESR1ESR2PDCD1CD274CYP3A4
SCHEMBL5794522 0.74 ESR1 (0.54) ESR1ESR2PDCD1CD274MAPT
SCHEMBL1345582 0.74 PTGS2 (0.63) ESR1ESR2PDCD1CD274CYP3A4
SCHEMBL9233559 0.73 HTT (0.44) ESR1ESR2PDCD1CD274MAPT
SCHEMBL9230521 0.73 HTT (0.44) ESR1ESR2PDCD1CD274MAPT

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
EP-0354548-B1 Signal enhancement in assay for an enzyme BECTON DICKINSON CO (US) 1995-03-01 — — EP disclosed
EP-0354548-A2 Signal enhancement in assay for an enzyme Becton, Dickinson and Company (US) 1990-02-14 — — EP disclosed
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