SCHEMBL872937

SCHEMBL872937

O=CCc1ccccc1Oc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.55
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
KMT2A Q03164 1/20 0.53
SLC6A4 P31645 5/20 0.53
SLC6A2 P23975 2/20 0.53
RIPK1 Q13546 1/20 0.53
TSHR P16473 2/20 0.49
CYP19A1 P11511 1/20 0.44
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
PPARA Q07869 1/20 0.42
HTT P42858 1/20 0.42
CTNNB1 P35222 1/20 0.42
HTR2A P28223 3/20 0.41
SLC6A3 Q01959 1/20 0.41
LTA4H P09960 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
FAAH O00519 1/20 0.40

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
SCHEMBL2167807 0.88 CXCL8 (0.42) HRH1LMNAGAAKMT2ASLC6A4
SCHEMBL2303574 0.86 SLC6A4 (0.58) HRH1LMNAKMT2ASLC6A4SLC6A2
SCHEMBL6913020 0.83 SLC6A4 (0.49) HRH1LMNAGAAKMT2ASLC6A4
SCHEMBL16539988 0.83 LTA4H (0.51) HRH1LMNAGAAKMT2ASLC6A4
SCHEMBL8495830 0.81 HRH1 (0.61) HRH1LMNAGAAKMT2ASLC6A4
SCHEMBL6204347 0.81 GAA (0.51) LMNAGAAKMT2ASLC6A4SLC6A2
SCHEMBL5360317 0.81 SLC6A4 (0.58) HRH1LMNAGAAKMT2ASLC6A4
SCHEMBL45176 0.81 HRH1 (0.55) HRH1LMNAGAAKMT2ASLC6A4
SCHEMBL30083973 0.81 HRH1 (0.55) HRH1LMNAGAAKMT2ASLC6A4
SCHEMBL9064197 0.81 HRH1 (0.55) HRH1LMNAGAAKMT2ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2683677-A1 REDUCTION OF C-0 BONDS BY CATALYTIC TRANSFER HYDROGENOLYSIS Kat2Biz AB (SE) 2014-01-15 EP disclosed
WO-2012164085-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-12-06 WO disclosed
WO-2012121659-A1 REDUCTION OF C-0 BONDS BY CATALYTIC TRANSFER HYDROGENOLYSIS KAT2BIZ AB C/O INTERPARES KONSULT AB (SE) 2012-09-13 WO disclosed
US-8143288-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed