Sugi Predict

Sugi Predict / Compounds / SCHEMBL7369823

SCHEMBL7369823

SCHEMBL7369823

CCCCOC(=O)C(CC(C)C)NC(=O)c1cc(Cc2cc(C(=O)NC(CC(C)C)C(=O)OCCCC)cc(C(=O)NC(CC(C)C)C(=O)OCCCC)c2)cc(C(=O)NC(CC(C)C)C(=O)OCCCC)c1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 19/20 0.52
▸ TAS1R1 Q7RTX1 19/20 0.52
▸ GRN P28799 1/20 0.44
▸ SORT1 Q99523 1/20 0.44

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
SCHEMBL28814272 0.82 TAS1R3 (0.60) TAS1R3TAS1R1
SCHEMBL453576 0.81 ALDH1A1 (0.49) TAS1R3TAS1R1GRNSORT1
SCHEMBL8964466 0.81 ALDH1A1 (0.49) TAS1R3TAS1R1GRNSORT1
SCHEMBL453575 0.81 ALDH1A1 (0.49) TAS1R3TAS1R1GRNSORT1
SCHEMBL810660 0.80 TAS1R3 (0.68) TAS1R3TAS1R1GRNSORT1
SCHEMBL8964444 0.77 ALDH1A1 (0.47) TAS1R3TAS1R1GRNSORT1
SCHEMBL8964517 0.77 ALDH1A1 (0.47) TAS1R3TAS1R1GRNSORT1
SCHEMBL810598 0.76 TAS1R3 (0.82) TAS1R3TAS1R1GRNSORT1
SCHEMBL11516612 0.75 PLA2G2A (0.44) TAS1R3TAS1R1
SCHEMBL9601878 0.75 TAS1R3 (0.76) TAS1R3TAS1R1

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-0920307-A2 DERIVATES FROM BISARYLTETRACARBONACID, AND PHARMARCEUTICAL PRODUCT CONTAINING THEM Roche Diagnostics GmbH (DE) 1999-06-09 — — EP disclosed
WO-1998006386-A2 DERIVATES FROM BISARYLTETRACARBONACID, AND PHARMARCEUTICAL PRODUCT CONTAINING THEM ROCHE DIAGNOSTICS GMBH (DE) 1998-02-19 — — WO disclosed