SCHEMBL11289324

SCHEMBL11289324

NC(=O)OC1(c2ccccc2)CCCC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.48
HDAC4 P56524 2/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
DPP4 P27487 1/20 0.40
HSD11B1 P28845 1/20 0.39
OPRM1 P35372 3/20 0.38
OPRD1 P41143 3/20 0.38
OPRK1 P41145 3/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL11275197 0.98 AKR1C1 (0.47) AKR1C1HDAC4MEN1KMT2ADPP4
SCHEMBL26135641 0.96 AKR1C1 (0.44) AKR1C1HDAC4MEN1KMT2ADPP4
SCHEMBL2572169 0.92 AKR1C1 (0.42) AKR1C1HDAC4MEN1KMT2AHSD11B1
SCHEMBL6036843 0.85 AKR1C1 (0.52) AKR1C1HDAC4MEN1KMT2AHSD11B1
SCHEMBL23647372 0.84 OPRM1 (0.47) AKR1C1OPRM1OPRD1OPRK1
SCHEMBL9191670 0.83 AKR1C1 (0.50) AKR1C1HDAC4MEN1KMT2AHSD11B1
SCHEMBL9191673 0.83 AKR1C1 (0.50) AKR1C1HDAC4MEN1KMT2AHSD11B1
SCHEMBL23762899 0.81 AKR1C1 (0.48) AKR1C1HDAC4MEN1KMT2AOPRM1
SCHEMBL4105893 0.80 AKR1C1 (0.47) AKR1C1HDAC4MEN1KMT2AOPRM1
SCHEMBL2503374 0.80 AKR1C1 (0.47) AKR1C1HDAC4MEN1KMT2AHSD11B1

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-4319018-A IN ACID CATALYST MITSUI TOATSU CHEMICALS, INC. (JP) 1982-03-09 US disclosed