SCHEMBL13601033

SCHEMBL13601033

CCOC(=O)CCCOc1cccc2cc(/C(C)=C/C(=O)N(CC)CC)oc12

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 3/20 0.49
LTB4R Q15722 5/20 0.41
LTB4R2 Q9NPC1 5/20 0.41
LMNA P02545 1/20 0.40
RECQL P46063 1/20 0.40
RXRA P19793 3/20 0.40
CNR2 P34972 3/20 0.38
RARA P10276 1/20 0.38
CYSLTR2 Q9NS75 2/20 0.38
CYSLTR1 Q9Y271 2/20 0.38
PTPN1 P18031 1/20 0.38
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL13601034 1.00 F2RL3 (0.49) F2RL3LTB4RLTB4R2LMNARECQL
SCHEMBL4504529 0.89 LTB4R (0.52) LTB4RLTB4R2LMNARECQLRXRA
SCHEMBL4504532 0.89 LTB4R (0.52) LTB4RLTB4R2LMNARECQLRXRA
SCHEMBL4504524 0.89 LTB4R (0.52) LTB4RLTB4R2LMNARECQLRXRA
SCHEMBL13600838 0.84 F2RL3 (0.49) F2RL3LMNARECQLRXRACNR2
SCHEMBL4497419 0.84 LMNA (0.57) F2RL3LMNARECQLCNR2CYSLTR2
SCHEMBL13600831 0.83 LTB4R (0.40) F2RL3LTB4RLTB4R2LMNAPTPN1
SCHEMBL13600826 0.82 F2RL3 (0.49) F2RL3LMNARECQLRXRAALDH1A1
SCHEMBL4491798 0.81 F2RL3 (0.41) F2RL3LTB4RLTB4R2LMNARECQL
SCHEMBL4496294 0.81 LTB4R (0.41) F2RL3LTB4RLTB4R2RXRAPTPN1

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
US-7638540-B2 Benzofuran compound and medicinal composition containing the same THE NEW INDUSTRY RESEARCH ORGANIZATION (JP) 2009-12-29 US disclosed
US-7638540-B2 Benzofuran compound and medicinal composition containing the same THE NEW INDUSTRY RESEARCH ORGANIZATION (JP) 2009-12-29 US disclosed