SCHEMBL7478519

SCHEMBL7478519

CC=CCn1c(C)c(C)c(C=O)c1C(=O)OC

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.33
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 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
SCHEMBL7479304 1.00 ALDH1A1 (0.33) ALDH1A1POLBRAB9ASMN1; SMN2LMNA
SCHEMBL7478128 0.87 ALDH1A1 (0.32) ALDH1A1POLBRAB9ASMN1; SMN2LMNA
SCHEMBL7478131 0.87 ALDH1A1 (0.32) ALDH1A1POLBRAB9ASMN1; SMN2LMNA
SCHEMBL7480610 0.85 ALDH1A1 (0.31) ALDH1A1POLBRAB9A
SCHEMBL7480607 0.85 ALDH1A1 (0.31) ALDH1A1POLBRAB9A
SCHEMBL7482378 0.84 ALDH1A1 (0.37) ALDH1A1POLBLMNAMAPTNPSR1
SCHEMBL7478235 0.82 ADORA2B (0.31)
SCHEMBL7483009 0.82 ALDH1A1 (0.34) ALDH1A1LMNAMAPTNPSR1
SCHEMBL7477197 0.81 MAPT (0.43) ALDH1A1POLBRAB9ASMN1; SMN2LMNA
SCHEMBL7475018 0.78 KDM4E (0.32) ALDH1A1POLBRAB9ALMNAMAPT

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