SCHEMBL9696441

SCHEMBL9696441

COC(=O)CC(CN)c1occ2cc(C(C)C)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 1/20 0.34
POLB P06746 1/20 0.33
THRB P10828 1/20 0.33
F2 P00734 5/20 0.33
F10 P00742 5/20 0.33
PRSS1 P07477 4/20 0.33
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 1/20 0.31
KMT2A Q03164 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PLG P00747 1/20 0.31
KLK1 P06870 1/20 0.31
KLK6 Q92876 1/20 0.31
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30
HTT P42858 1/20 0.30
IKBKE Q14164 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
SCHEMBL9594192 0.87 MAPT (0.40) MAPTRAB9APOLBTHRBBCHE
SCHEMBL9198986 0.87 GABBR2 (0.43) GAATHRBKMT2A
SCHEMBL9195308 0.77 GAA (0.41) GAATHRBALDH1A1KMT2AHPGD
SCHEMBL9696447 0.76 MAPT (0.40) MAPTRAB9AGAA
SCHEMBL9315021 0.74 KDM4E (0.38) MAPTRAB9AF2F10ALDH1A1
SCHEMBL9196668 0.72 MAPT (0.44) MAPTGAATHRBKMT2ASMN1; SMN2
SCHEMBL9203501 0.70 GABBR2 (0.39) GAATHRBKMT2A
SCHEMBL9200322 0.70 AKR1C3 (0.41) MAPTGAAPOLBALDH1A1KMT2A
SCHEMBL9315751 0.69 GABBR2 (0.41) GAATHRBKMT2A
SCHEMBL9196657 0.69 GABBR2 (0.41) GAATHRBKMT2A

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
US-5162364-A Treatment of spastic and senescence disorders ADIR ET COMPAGNIE (FR) 1992-11-10 US disclosed