SCHEMBL8516631

SCHEMBL8516631

OCCCCCc1ccccc1Oc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.59
RIPK1 Q13546 1/20 0.53
SLC6A4 P31645 2/20 0.49
SLC6A2 P23975 1/20 0.49
FFAR1 O14842 1/20 0.43
CYP19A1 P11511 1/20 0.41
TTR P02766 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
PPARA Q07869 1/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
LTA4H P09960 1/20 0.39
HTR2A P28223 1/20 0.39

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
SCHEMBL1070099 0.93 HRH1 (0.62) HRH1RIPK1SLC6A4SLC6A2FFAR1
SCHEMBL1067253 0.85 HRH1 (0.67) HRH1RIPK1SLC6A4SLC6A2FFAR1
SCHEMBL6552750 0.83 HRH1 (0.59) HRH1RIPK1SLC6A4SLC6A2PPARA
SCHEMBL321170 0.83 HRH1 (0.59) HRH1RIPK1SLC6A4SLC6A2PPARA
SCHEMBL10875308 0.83 HRH1 (0.59) HRH1RIPK1SLC6A4SLC6A2PPARA
SCHEMBL7653319 0.83 HRH1 (0.59) HRH1RIPK1SLC6A4SLC6A2FFAR1
SCHEMBL11524632 0.83 HRH1 (0.59) HRH1RIPK1SLC6A4SLC6A2FFAR1
SCHEMBL407448 0.83 HRH1 (0.59) HRH1RIPK1SLC6A4SLC6A2PPARA
SCHEMBL20895821 0.83 HRH1 (0.59) HRH1RIPK1SLC6A4SLC6A2PPARA
SCHEMBL11664363 0.83 HRH1 (0.59) HRH1RIPK1SLC6A4SLC6A2FFAR1

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-0841919-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-02-24 EP disclosed
EP-0841919-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-05-20 EP disclosed