SCHEMBL7892907

SCHEMBL7892907

CCCC[C@H](NC(=O)N[C@@H](CC(=O)O)c1ccc2c(c1)OCO2)C(=O)N(C)Cc1ccccc1OC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
TAS1R3 Q7RTX0 2/20 0.42
TAS1R1 Q7RTX1 2/20 0.42
GAA P10253 2/20 0.42
RORC P51449 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 3/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GPR55 Q9Y2T6 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
SCHEMBL7898800 0.89 GAA (0.41) KMT2AMEN1TAS1R3TAS1R1GAA
SCHEMBL7900088 0.89 HPGD (0.46) KMT2AMEN1TAS1R3TAS1R1GAA
SCHEMBL7892930 0.87 KMT2A (0.44) KMT2AMEN1TAS1R3TAS1R1GAA
SCHEMBL7892878 0.85 FOLH1 (0.47) KMT2ATAS1R3TAS1R1GAAHPGD
SCHEMBL7900081 0.84 GAA (0.41) KMT2ATAS1R3TAS1R1GAAITGB3
SCHEMBL7901816 0.84 POLB (0.45) KMT2ATAS1R3TAS1R1GAAHPGD
SCHEMBL4702523 0.84 GAA (0.48) KMT2ATAS1R3TAS1R1GAAITGB3
SCHEMBL7904023 0.83 GAA (0.42) KMT2ATAS1R3TAS1R1GAAMAPT
SCHEMBL4699864 0.83 MAPT (0.44) KMT2AMEN1TAS1R3TAS1R1GAA
SCHEMBL7898775 0.82 TAS1R3 (0.44) KMT2ATAS1R3TAS1R1GAAITGB3

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
US-6194448-B1 ANTIINFLAMMATORY AGENTS; ASTHMA; RHEUMATIC DISORDERS TEXAS BIOTECHNOLOGY CORPORATION 2001-02-27 US disclosed