SCHEMBL6936340

SCHEMBL6936340

CCCc1ccccc1Oc1ccc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.50
AR P10275 1/20 0.49
LTA4H P09960 5/20 0.47
NR1H2 P55055 1/20 0.47
BAX Q07812 1/20 0.47
SLC6A4 P31645 7/20 0.46
SLC6A2 P23975 5/20 0.46
SLC6A3 Q01959 4/20 0.46
HTR2A P28223 3/20 0.45
RIPK1 Q13546 1/20 0.45
PPARD Q03181 1/20 0.45
FFAR1 O14842 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43

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
SCHEMBL6061459 0.90 LTA4H (0.53) HRH1LTA4HNR1H2BAXSLC6A4
SCHEMBL1696335 0.85 HRH1 (0.67) HRH1ARLTA4HSLC6A4SLC6A2
SCHEMBL29815703 0.85 HRH1 (0.67) HRH1ARLTA4HSLC6A4SLC6A2
SCHEMBL3179227 0.83 HRH1 (0.59) HRH1ARSLC6A4SLC6A2SLC6A3
SCHEMBL6938403 0.82 AR (0.49) HRH1ARSLC6A4SLC6A2SLC6A3
SCHEMBL2202797 0.81 SLC6A2 (0.54) HRH1ARSLC6A4SLC6A2SLC6A3
SCHEMBL536921 0.80 LTA4H (0.52) HRH1LTA4HNR1H2BAXSLC6A4
Phenol SCHEMBL28832561 0.80 HRH1 (0.51) HRH1SLC6A4SLC6A2RIPK1
Phenol SCHEMBL28085319 0.80 HRH1 (0.51) HRH1SLC6A4SLC6A2RIPK1
SCHEMBL6062365 0.79 F2 (0.50) MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888278-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2003-07-23 EP disclosed
EP-0888278-A4 ANTIDIABETIC AGENTS MERCK & CO INC (US) 1999-06-30 EP disclosed
EP-0888278-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-01-07 EP disclosed
WO-1997028115-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO disclosed