SCHEMBL7478089

SCHEMBL7478089

C=C(C)Cn1c(C)c(C)c(C=O)c1C(=O)OC

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
HPGD P15428 1/20 0.32
ALDH1A1 P00352 2/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL7485767 0.87 LMNA (0.32) KDM4EHPGDALDH1A1LMNAMAPT
SCHEMBL7482378 0.81 ALDH1A1 (0.37) KDM4EHPGDALDH1A1LMNAMAPT
SCHEMBL7475018 0.78 KDM4E (0.32) KDM4EALDH1A1LMNAMAPTNPSR1
SCHEMBL7479670 0.78 MEN1 (0.36) KDM4EHPGDALDH1A1LMNAMAPT
SCHEMBL7474346 0.77 NPC1 (0.32) ALDH1A1LMNAMAPTNPSR1
SCHEMBL7477896 0.77 MEN1 (0.33) ALDH1A1LMNAMAPTNPSR1
SCHEMBL7478519 0.77 ALDH1A1 (0.33) ALDH1A1LMNAMAPTNPSR1
SCHEMBL7476327 0.77 ALDH1A1 (0.30) ALDH1A1LMNAMAPTNPSR1
SCHEMBL7476209 0.76 NOTUM (0.38) ALDH1A1LMNAMAPTNPSR1
SCHEMBL7478235 0.76 ADORA2B (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0742218-B1 PYRROLOPYRIDAZINE DERIVATIVE SANKYO CO (JP) 2002-12-04 EP disclosed
US-6063782-A Pyrrolopyridazine derivatives SANKYO COMPANY, LIMITED (JP) 2000-05-16 US disclosed
EP-0742218-A1 PYRROLOPYRIDAZINE DERIVATIVE SANKYO COMPANY LIMITED (JP) 1996-11-13 EP disclosed