SCHEMBL7478128

SCHEMBL7478128

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

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.32
LMNA P02545 3/20 0.32
MAPT P10636 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GAA P10253 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
SCHEMBL7478131 1.00 ALDH1A1 (0.32) ALDH1A1LMNAMAPTNPSR1POLB
SCHEMBL7478519 0.87 ALDH1A1 (0.33) ALDH1A1LMNAMAPTNPSR1POLB
SCHEMBL7480610 0.84 ALDH1A1 (0.31) ALDH1A1POLBRAB9A
SCHEMBL7480607 0.84 ALDH1A1 (0.31) ALDH1A1POLBRAB9A
SCHEMBL7482378 0.83 ALDH1A1 (0.37) ALDH1A1LMNAMAPTNPSR1POLB
SCHEMBL7478235 0.81 ADORA2B (0.31) MEN1KMT2A
SCHEMBL7483009 0.81 ALDH1A1 (0.34) ALDH1A1LMNAMAPTNPSR1HTT
SCHEMBL7477197 0.80 MAPT (0.43) ALDH1A1LMNAMAPTNPSR1POLB
SCHEMBL7477202 0.80 MAPT (0.43) ALDH1A1LMNAMAPTNPSR1POLB
SCHEMBL7478512 0.79 ALDH1A1 (0.33) ALDH1A1LMNAMAPTNPSR1POLB

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