SCHEMBL7715530

SCHEMBL7715530

CCc1cc2cc(OC)ccc2c(Nc2ccc(C[C@](CC)(Nc3c(N4C(C)CCC4C)c(=O)c3=O)C(=O)O)cc2)n1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.32
TP53 P04637 2/20 0.31
NPC1 O15118 2/20 0.31
TSHR P16473 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ATM Q13315 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4D Q08499 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30
NFKB1 P19838 1/20 0.30
HTT P42858 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 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
SCHEMBL7716444 0.83 ITGB1 (0.41)
SCHEMBL7716446 0.83 ITGB1 (0.41)
SCHEMBL7716185 0.83 TP53 (0.33) ACP1TP53ATMHDAC1HDAC6
SCHEMBL7715527 0.81 TP53 (0.34) TP53KDM4EHPGD
SCHEMBL7715520 0.81 TP53 (0.34) TP53KDM4EHPGD
SCHEMBL7715525 0.81 AKR1C3 (0.33) TP53
SCHEMBL7716161 0.80 MAPT (0.36) TP53NPC1SMN1; SMN2KDM4EPDE4B
SCHEMBL7715517 0.79 MEN1 (0.32) PDE4B
SCHEMBL7718431 0.71 SLC8A1 (0.33) PDE4BPDE4D
SCHEMBL5262867 0.69 PDE4B (0.32) TP53SMN1; SMN2KDM4EPDE4BHDAC1

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