SCHEMBL25843

SCHEMBL25843

CC(=O)OC1CCc2cc(C(C)=O)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 2/20 0.44
CHRM4 P08173 4/20 0.43
DRD2 P14416 4/20 0.43
HTR7 P34969 4/20 0.43
TUBB4A P04350 3/20 0.42
TUBB P07437 3/20 0.42
TUBA3C P0DPH7 3/20 0.42
TUBA1B P68363 3/20 0.42
TUBA4A P68366 3/20 0.42
TUBB4B P68371 3/20 0.42
TUBB3 Q13509 3/20 0.42
TUBB2A Q13885 3/20 0.42
TUBB8 Q3ZCM7 3/20 0.42
TUBA3E Q6PEY2 3/20 0.42
TUBA1A Q71U36 3/20 0.42
TUBA1C Q9BQE3 3/20 0.42
TUBB6 Q9BUF5 3/20 0.42
TUBB2B Q9BVA1 3/20 0.42

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
SCHEMBL797873 0.88 NPC1 (0.41) NPC1RAB9AMAPTCHRM4DRD2
SCHEMBL6206994 0.83 MAPK1 (0.53) MAPTCHRM4DRD2HTR7TUBB4A
SCHEMBL27990189 0.83 CHRM4 (0.44) CHRM4DRD2HTR7TUBB4ATUBB
SCHEMBL27787753 0.82 SRD5A1 (0.44) CHRM4DRD2HTR7TUBB4ATUBB
SCHEMBL32779 0.81 NPC1 (0.49) NPC1RAB9AMAPTDRD2CHRNA1
SCHEMBL817976 0.78 IDO1 (0.56) CHRM4DRD2HTR7POLB
SCHEMBL30908530 0.78 IDO1 (0.56) CHRM4DRD2HTR7POLB
SCHEMBL15630855 0.76 NPC1 (0.47) NPC1RAB9AMAPTDRD2CHRNA1
SCHEMBL25904940 0.75 DRD2 (0.50) CHRM4DRD2HTR7TUBB4ATUBB
SCHEMBL27669761 0.74 CYP19A1 (0.43) CHRM4DRD2HTR7TUBB4ATUBB

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
WO-2012026403-A1 CONDENSED RING COMPOUND 日本曹達株式会社 (JP) 2012-03-01 WO disclosed