Sugi Predict

Sugi Predict / Compounds / SCHEMBL1400796

SCHEMBL1400796

SCHEMBL1400796

CCCCOc1cc(/C=C(\C)C(=O)O)ccc1-c1csc(CN(C)C(=O)OC(C)(C)C)c1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.32
▸ HTR2C P28335 5/20 0.32
▸ SLC6A4 P31645 5/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ AKR1C3 P42330 1/20 0.31
▸ PPARD Q03181 1/20 0.31
▸ PTGES O14684 1/20 0.30
▸ ALOX5 P09917 1/20 0.30

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
SCHEMBL1400797 1.00 PDK2 (0.32) PDK2HTR2CSLC6A4HTR2AKDM4E
SCHEMBL5198621 0.88 KDM4E (0.43) KDM4EAKR1C3PPARD
SCHEMBL4607036 0.85 GLS (0.37) HTR2CSLC6A4KDM4EAKR1C3
SCHEMBL4607033 0.85 GLS (0.37) HTR2CSLC6A4KDM4EAKR1C3
SCHEMBL68768 0.83 KDM4E (0.34) KDM4EAKR1C3
SCHEMBL68767 0.83 KDM4E (0.34) KDM4EAKR1C3
SCHEMBL5198183 0.81 RXRA (0.41) PPARD
SCHEMBL1400847 0.80 PTGER1 (0.34) PDK2HTR2CSLC6A4HTR2APPARD
SCHEMBL1400849 0.80 PPARG (0.37) PDK2HTR2CSLC6A4PPARDPTGES
SCHEMBL4968634 0.74 AKR1C3 (0.49) KDM4EAKR1C3

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
EP-1814871-B1 COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2011-03-02 — — EP disclosed