SCHEMBL7716185

SCHEMBL7716185

CCc1cc2cc(OC)ccc2c(Nc2ccc(C[C@](CC)(Nc3c(OC(C)C)c(=O)c3=O)C(=O)O)cc2)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.33
MAPT P10636 2/20 0.33
ATM Q13315 1/20 0.32
P2RX3 P56373 5/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
SLC2A1 P11166 1/20 0.32
PLG P00747 2/20 0.31
KLK1 P06870 2/20 0.31
KLK6 Q92876 2/20 0.31
CSF1R P07333 1/20 0.31
ACP1 P24666 1/20 0.31
AKR1C3 P42330 3/20 0.31
AKR1C2 P52895 3/20 0.31
AKR1C1 Q04828 1/20 0.31
PTGS1 P23219 1/20 0.31
MEN1 O00255 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL7715530 0.83 ACP1 (0.32) TP53ATMHDAC1HDAC6ACP1
SCHEMBL7716181 0.80 TP53 (0.36) TP53MAPTP2RX3SLC2A1MEN1
SCHEMBL7716176 0.80 AKR1C3 (0.36) TP53MAPTATMHDAC1SLC2A1
SCHEMBL7716171 0.80 TP53 (0.36) TP53MAPTP2RX3SLC2A1MEN1
SCHEMBL7105529 0.78 KMT2A (0.34) TP53MAPTP2RX3HDAC1HDAC6
SCHEMBL7714244 0.77 ACP1 (0.36) TP53MAPTP2RX3ACP1MEN1
SCHEMBL7714237 0.77 ACP1 (0.36) TP53MAPTP2RX3ACP1MEN1
SCHEMBL7105250 0.75 EGFR (0.40) TP53MAPTKMT2A
SCHEMBL7714210 0.71 ITGB1 (0.42)
SCHEMBL7714207 0.71 ITGB1 (0.42)

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