SCHEMBL8729260

SCHEMBL8729260

CCOC(=O)COc1ccc2c(c1)CC(CNC(=O)OC(C)(C)C)C2

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
ACACB O00763 1/20 0.45
GAA P10253 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 1/20 0.42
ADRB3 P13945 1/20 0.42
HIF1A Q16665 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HDAC8 Q9BY41 4/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
NPY5R Q15761 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
SCHEMBL8757882 0.87 ACACB (0.47) ACACBHSD17B10HDAC8TSHRSMN1; SMN2
SCHEMBL8765787 0.85 POLB (0.50) POLBGAANPSR1ALDH1A1ADRB3
SCHEMBL6106293 0.81 POLB (0.47) POLBGAANPSR1ALDH1A1ADRB3
SCHEMBL7283668 0.80 ACACB (0.49) ACACBGAAALDH1A1HIF1AKDM4E
SCHEMBL8728457 0.80 ACACB (0.50) ACACBHIF1AHDAC8
SCHEMBL9443694 0.79 ADRB3 (0.51) POLBGAANPSR1ALDH1A1ADRB3
SCHEMBL9443665 0.79 ADRB3 (0.51) POLBGAANPSR1ALDH1A1ADRB3
SCHEMBL9443701 0.79 ADRB3 (0.51) POLBGAANPSR1ALDH1A1ADRB3
SCHEMBL9688635 0.79 ALOX15 (0.49) ACACBADRB3HSD17B10HDAC8TSHR
SCHEMBL9688057 0.79 ALOX15 (0.49) ACACBADRB3HSD17B10HDAC8TSHR

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-5750524-A ADMINISTERING AN SULFAMIDE SUBSTITUTED INDAN DERIVATIVE ZERIA PHARMACEUTICAL CO., LTD. (JP) 1998-05-12 US disclosed