SCHEMBL9711388

SCHEMBL9711388

O=C1CC(c2ccccc2)CC(=O)C1Cl

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
GAA P10253 1/20 0.57
ALDH1A1 P00352 3/20 0.53
HPGD P15428 2/20 0.53
POLB P06746 2/20 0.53
KMT2A Q03164 3/20 0.44
MAP1LC3B Q9GZQ8 2/20 0.44
MEN1 O00255 2/20 0.44
BRD4 O60885 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
CTRB1 P17538 1/20 0.43
LMNA P02545 1/20 0.41
SLC18A3 Q16572 1/20 0.41

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
SCHEMBL17070910 0.78 MAPT (0.57) MAPTGAAALDH1A1HPGDPOLB
SCHEMBL1177037 0.78 MAPT (0.57) MAPTGAAALDH1A1HPGDPOLB
SCHEMBL449180 0.77 MAPT (0.82) MAPTGAAALDH1A1HPGDPOLB
SCHEMBL562614 0.73 MAPT (1.00) MAPTGAAALDH1A1HPGDPOLB
SCHEMBL11170815 0.72 MAPT (0.50) MAPTGAAALDH1A1HPGDPOLB
SCHEMBL657291 0.71 CTRB1 (0.68) MAPTGAAALDH1A1HPGDKMT2A
SCHEMBL9541619 0.71 CTRB1 (0.68) MAPTGAAALDH1A1HPGDKMT2A
SCHEMBL5964906 0.71 MAPT (0.65) MAPTGAAALDH1A1HPGDPOLB
SCHEMBL5386997 0.71 MAPT (0.59) MAPTGAAALDH1A1HPGDKMT2A
SCHEMBL10500501 0.71 MAPT (0.50) MAPTGAAALDH1A1HPGDPOLB

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
WO-1992019588-A1 NEW AMIDRAZONE DERIVATES, PROCESS FOR PRODUCING THE SAME AND THEIR USE AS LIPOXYGENASE INHIBITORS ARZNEIMITTELWERK DRESDEN GMBH (DE) 1992-11-12 WO disclosed