Sugi Predict

Sugi Predict / Compounds / SCHEMBL8593444

SCHEMBL8593444

SCHEMBL8593444

CCCc1ccc(OCc2ccccc2CC#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 9/20 0.47
▸ MAOB P27338 4/20 0.44
▸ FFAR4 Q5NUL3 8/20 0.44
▸ BCHE P06276 2/20 0.42
▸ SENP8 Q96LD8 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40

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
SCHEMBL8592650 0.88 TDP1 (0.44) FFAR1MAOBFFAR4
SCHEMBL8590712 0.85 LTA4H (0.49) MAOB
SCHEMBL8592217 0.81 FFAR1 (0.45) FFAR1MAOBFFAR4SENP8SENP7
SCHEMBL8597171 0.81 KDM4E (0.46) FFAR1MAOB
SCHEMBL8593055 0.79 HTR1A (0.48) —
SCHEMBL8593753 0.78 FFAR1 (0.45) FFAR1MAOBFFAR4
SCHEMBL8597491 0.78 FFAR1 (0.45) FFAR1MAOBFFAR4
SCHEMBL8590393 0.78 RXRA (0.41) FFAR1MAOBFFAR4
SCHEMBL8593109 0.78 POLB (0.46) MAOBBCHE
SCHEMBL8590737 0.77 NPC1 (0.41) MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0658543-B1 PROCESS FOR PRODUCING ALPHA-ALKOXYIMINOPHENYLACETONITRILE DERIVATIVE SHIONOGI & CO (JP) 1998-01-07 — — EP disclosed
EP-0658543-A1 PROCESS FOR PRODUCING $g(a)-ALKOXYIMINOPHENYLACETONITRILE DERIVATIVE SHIONOGI & CO., LTD. (JP) 1995-06-21 — — EP disclosed