SCHEMBL7716173

SCHEMBL7716173

Cc1cc2ccccc2c(Nc2ccc(C(C)C(Nc3c(OC(C)C)c(=O)c3=O)C(=O)O)cc2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.37
MEN1 O00255 3/20 0.37
GAA P10253 3/20 0.37
KMT2A Q03164 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
NPY1R P25929 1/20 0.37
NPY2R P49146 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
KDM4E B2RXH2 4/20 0.35
AKR1B1 P15121 1/20 0.34
NPC1 O15118 1/20 0.34
GUSB P08236 1/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL7716180 0.90 DGAT1 (0.34) MAPTMEN1GAAKMT2ASMN1; SMN2
SCHEMBL7716470 0.81 MAPT (0.34) MAPTMEN1GAAKMT2ASMN1; SMN2
SCHEMBL7716169 0.79 ELANE (0.40) MAPTMEN1GAAKMT2ASMN1; SMN2
SCHEMBL7716179 0.79 ELANE (0.40) MAPTMEN1GAAKMT2ASMN1; SMN2
SCHEMBL7714235 0.78 MAPT (0.36) MAPTMEN1GAAKMT2ASMN1; SMN2
SCHEMBL7716183 0.78 MAPT (0.37) MAPTMEN1GAAKMT2ASMN1; SMN2
SCHEMBL7105520 0.77 F7 (0.36) MAPTMEN1GAAKMT2ASMN1; SMN2
SCHEMBL7258056 0.74 ITGB1 (0.43)
SCHEMBL7259945 0.74 ITGB1 (0.47)
SCHEMBL7259939 0.74 ITGB1 (0.47)

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-6403608-B1 ANTIINFLAMMATORY AND IMMUNE DISORDERS CELLTECH R&D, LTD. (GB) 2002-06-11 US disclosed