SCHEMBL7478767

SCHEMBL7478767

COC(=O)c1c(C=O)c(C)c(C)n1CC=C(C)C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.34
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 2/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
APP P05067 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
SCHEMBL7478235 0.87 ADORA2B (0.31)
SCHEMBL7483009 0.87 ALDH1A1 (0.34) KDM4EALDH1A1LMNAMAPTNPSR1
SCHEMBL7482378 0.84 ALDH1A1 (0.37) KDM4EALDH1A1LMNAMAPTNPSR1
SCHEMBL7478519 0.83 ALDH1A1 (0.33) ALDH1A1LMNAMAPTNPSR1
SCHEMBL7478131 0.82 ALDH1A1 (0.32) ALDH1A1LMNAMAPTNPSR1
SCHEMBL7478128 0.82 ALDH1A1 (0.32) ALDH1A1LMNAMAPTNPSR1
SCHEMBL7478089 0.80 KDM4E (0.32) KDM4EALDH1A1LMNAMAPTNPSR1
SCHEMBL7480607 0.80 ALDH1A1 (0.31) ALDH1A1
SCHEMBL7480610 0.80 ALDH1A1 (0.31) ALDH1A1
SCHEMBL7475018 0.78 KDM4E (0.32) KDM4EALDH1A1LMNAMAPTNPSR1

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