SCHEMBL8403198

SCHEMBL8403198

CNC(Cc1ccccc1)C(O)CO

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 2/20 0.50
▸ SIGMAR1 Q99720 2/20 0.50
▸ SLC18A2 Q05940 1/20 0.50
▸ TRPA1 O75762 2/20 0.48
▸ BCHE P06276 3/20 0.44
▸ PYGL P06737 1/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ROCK2 O75116 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40

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
SCHEMBL8150050 0.88 TAAR1 (0.46) TAAR1SIGMAR1SLC18A2TRPA1BCHE
SCHEMBL15705189 0.85 TRPA1 (0.59) TAAR1SIGMAR1SLC18A2TRPA1BCHE
SCHEMBL14163598 0.84 BCHE (0.50) TAAR1SIGMAR1SLC18A2TRPA1BCHE
SCHEMBL13986089 0.82 SLC6A2 (0.46) TAAR1SIGMAR1SLC18A2CYP3A4MAPK1
Hydrochloric Acid SCHEMBL28649749 0.81 TAAR1 (0.53) TAAR1SIGMAR1SLC18A2TRPA1BCHE
SCHEMBL21151317 0.80 SIGMAR1 (0.45) TAAR1SIGMAR1SLC18A2
SCHEMBL14416885 0.80 BCHE (0.51) TAAR1SIGMAR1SLC18A2TRPA1BCHE
SCHEMBL20403618 0.79 TAAR1 (0.52) TAAR1SIGMAR1SLC18A2BCHE
SCHEMBL15705190 0.78 BCHE (0.50) TAAR1SIGMAR1SLC18A2BCHE
SCHEMBL12050565 0.78 BCHE (0.50) TAAR1SIGMAR1SLC18A2BCHE

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6008398-A Non-nucleotide phosphorus ester oligomers GENZYME CORPORATION (US) 1999-12-28 — — US disclosed
US-5919965-A Non-nucleotide phosphorus ester oligomers GENZYME CORPORATION (US) 1999-07-06 — — US disclosed
EP-0880532-A4 NON-NUCLEOTIDE PHOSPHOROUS ESTER OLIGOMERS PHARMAGENICS INC (US) 1999-06-09 — — EP disclosed
EP-0880532-A1 NON-NUCLEOTIDE PHOSPHOROUS ESTER OLIGOMERS PHARMAGENICS, INC. (US) 1998-12-02 — — EP disclosed
EP-0804443-A4 NON-NUCLEOTIDE PHOSPHORUS ESTER OLIGOMERS PHARMAGENICS INC (US) 1998-04-29 — — EP disclosed
EP-0804443-A1 NON-NUCLEOTIDE PHOSPHORUS ESTER OLIGOMERS PHARMAGENICS, INC. (US) 1997-11-05 — — EP disclosed
WO-1997028168-A1 NON-NUCLEOTIDE PHOSPHOROUS ESTER OLIGOMERS PHARMAGENICS, INC. (US) 1997-08-07 — — WO disclosed
WO-1996022297-A9 NON-NUCLEOTIDE PHOSPHORUS ESTER OLIGOMERS — 1996-10-03 — — WO disclosed
WO-1996022297-A1 NON-NUCLEOTIDE PHOSPHORUS ESTER OLIGOMERS PHARMAGENICS, INC. (US) 1996-07-25 — — WO disclosed
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