SCHEMBL11539159

SCHEMBL11539159

OC1CC2CCC1C1CCCC21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
CA12 O43570 2/20 0.34
GMNN O75496 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
LMNA P02545 2/20 0.34
BLM P54132 2/20 0.34
CA9 Q16790 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
SGMS1 Q86VZ5 1/20 0.34
SGMS2 Q8NHU3 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33

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
SCHEMBL863692 0.82 MAPT (0.44) MAPTCA12GMNNALDH1A1CA1
SCHEMBL11883060 0.82 MAPT (0.44) MAPTCA12GMNNALDH1A1CA1
SCHEMBL30428269 0.81
SCHEMBL17071965 0.81
SCHEMBL9366064 0.78 MAPT (0.37) MAPTCA12GMNNALDH1A1CA1
SCHEMBL13646328 0.78 CA1 (0.35) CA1CA2KDM4E
SCHEMBL2760377 0.77 MAPT (0.39) MAPTCA12GMNNALDH1A1CA1
SCHEMBL4544647 0.76 MAPT (0.32) MAPTCA12GMNNALDH1A1CA1
SCHEMBL17538638 0.76 MAPT (0.32) MAPTCA12GMNNALDH1A1CA1
SCHEMBL11283293 0.76 MAPT (0.32) MAPTCA12GMNNALDH1A1CA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-52000250-A None JP disclosed
US-4133840-A Preparation of 4-homoisotwistane, (tricyclo[5.3.1.03,8 ]undecane) KAO SOAP CO., LTD. (JP) 1979-01-09 US disclosed
US-4086285-A Tricyclo[6.2.1.02,6 ]undeca-2(6)-ene and process for hydride transfer reduction rearrangement of same KAO SOAP CO., LTD. (JA) 1978-04-25 US disclosed
JP-S52250-A PROCESS FOR PREPARATION OF 8-EXO-HYDROXY-ENDO-TRICYCLO-(5,2,2,02,6) ) UNDE CANE KAO CORP 1977-01-05 JP disclosed