SCHEMBL9768329

SCHEMBL9768329

CCCCNCC(O)c1ccc(O)c(O)c1Oc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 17/20 0.43
ADRB1 P08588 16/20 0.43
DRD3 P35462 3/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL9768305 0.74 HDAC3 (0.43) ALDH1A1KDM4ELMNA
SCHEMBL9307776 0.70 KDM4E (0.66) ADRB2ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL9768276 0.70 ADRA2A (0.44) ADRB2ADRB1DRD3LMNA
SCHEMBL11692156 0.69 ADRB1 (0.57) ADRB2ADRB1
SCHEMBL30956728 0.68 KCNH2 (0.44) ADRB2ADRB1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL7724551 0.68 ADRB2 (0.48) ADRB2ADRB1
SCHEMBL30956712 0.68 KCNH2 (0.44) ADRB2ADRB1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL20819683 0.68 KCNH2 (0.44) ADRB2ADRB1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL20819666 0.68 KCNH2 (0.44) ADRB2ADRB1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL9223800 0.68 ADRB2 (0.58) ADRB2ADRB1ALDH1A1SMN1; SMN2KDM4E

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-5047592-A Selective hydrogenolysis process ETHYL CORPORATION (US) 1991-09-10 US disclosed