SCHEMBL4788657

SCHEMBL4788657

O=C(OCc1ccc(OCc2coc(-c3ccccc3)n2)cc1)C1CCCN1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.57
PPARA Q07869 7/20 0.52
PPARG P37231 6/20 0.52
HTR2B P41595 2/20 0.49
HTR2C P28335 1/20 0.49
TSHR P16473 1/20 0.40
ELANE P08246 1/20 0.39
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 1/20 0.39
SLC6A2 P23975 1/20 0.37
HRH2 P25021 1/20 0.37
HTR2A P28223 1/20 0.37
SLC6A3 Q01959 1/20 0.37
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL4744698 0.79 FFAR1 (0.63) FFAR1PPARAPPARG
SCHEMBL16555730 0.78 TSHR (0.54) HTR2BHTR2CTSHRELANEHDAC1
SCHEMBL4745030 0.77 PPARG (0.59) FFAR1PPARAPPARG
SCHEMBL693351 0.76 TSHR (0.63) HTR2BHTR2CTSHRELANE
SCHEMBL4069956 0.76 TSHR (0.63) HTR2BHTR2CTSHRELANE
SCHEMBL630517 0.76 TSHR (0.63) HTR2BHTR2CTSHRELANE
Hydrochloric Acid SCHEMBL1000787 0.75 TSHR (0.65) HTR2BHTR2CTSHRELANE
Hydrochloric Acid SCHEMBL693350 0.75 TSHR (0.65) HTR2BHTR2CTSHRELANE
Hydrochloric Acid SCHEMBL630516 0.75 TSHR (0.65) HTR2BHTR2CTSHRELANE
SCHEMBL4744629 0.74 KDR (0.62) FFAR1PPARAPPARG

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-2008117982-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITION FOR INHIBITING LIPID ACCUMULATION CONTAINING SAME CRYSTAL GENOMICS, INC. (KR) 2008-10-02 WO disclosed