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SCHEMBL12712926

SCHEMBL12712926

CC(C)(C)OC(=O)N1C[C@H](c2ccccc2)N(C(=O)O)C[C@H]1c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 4/20 0.53
▸ NR1H3 Q13133 4/20 0.53
▸ RIPK1 Q13546 6/20 0.47
▸ RORC P51449 2/20 0.46
▸ HTRA1 Q92743 1/20 0.43
▸ ABCB1 P08183 1/20 0.43
▸ GPR119 Q8TDV5 1/20 0.43
▸ ABHD6 Q9BV23 1/20 0.42
▸ ROCK2 O75116 1/20 0.42
▸ TACR1 P25103 2/20 0.41

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
SCHEMBL3188043 0.95 NR1H2 (0.56) NR1H2NR1H3RIPK1RORCHTRA1
SCHEMBL3188035 0.95 NR1H2 (0.56) NR1H2NR1H3RIPK1RORCHTRA1
SCHEMBL12668388 0.95 NR1H2 (0.56) NR1H2NR1H3RIPK1RORCHTRA1
SCHEMBL25326986 0.85 NR1H2 (0.48) NR1H2NR1H3RIPK1RORCHTRA1
SCHEMBL12668394 0.85 NR1H2 (0.48) NR1H2NR1H3RIPK1RORCHTRA1
SCHEMBL25326983 0.85 NR1H2 (0.48) NR1H2NR1H3RIPK1RORCHTRA1
SCHEMBL25325443 0.84 RIPK1 (0.53) NR1H2NR1H3RIPK1RORCHTRA1
SCHEMBL25325447 0.84 RIPK1 (0.53) NR1H2NR1H3RIPK1RORCHTRA1
SCHEMBL2809566 0.83 NR1H2 (0.57) NR1H2NR1H3RIPK1RORCGPR119
SCHEMBL12668399 0.83 NR1H2 (0.49) NR1H2NR1H3RIPK1RORCHTRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2309563-A1 COMPOSITION AND LIGHT-EMITTING ELEMENT USING THE COMPOSITION Sumitomo Chemical Company, Limited (JP) 2011-04-13 — — EP disclosed