SCHEMBL7845458

SCHEMBL7845458

C=CCc1cc2c(c(CC=C)c1O)CCC(=O)N2CCCCCCCC

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.41
FAAH O00519 2/20 0.41
PTPN1 P18031 1/20 0.35
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
DRD2 P14416 2/20 0.34
CHRM3 P20309 2/20 0.34
DRD4 P21917 2/20 0.34
DRD3 P35462 2/20 0.34
PTGS1 P23219 3/20 0.33
PTGS2 P35354 3/20 0.33
KDM4E B2RXH2 2/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
CYP19A1 P11511 7/20 0.32

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
SCHEMBL7844512 0.90 CHRM2 (0.34) CHRM2CHRM4CHRM5CHRM1DRD2
SCHEMBL7845311 0.88
Oxalic Acid SCHEMBL7852086 0.88 KDM4E (0.33) MGLLFAAHPTPN1DRD2DRD4
SCHEMBL7844608 0.87 KDM4E (0.30) KDM4EGLAGAA
SCHEMBL7853643 0.87 KDM4E (0.32) KDM4EGLAGAA
Hydrochloric Acid SCHEMBL7853025 0.86
SCHEMBL7845505 0.85 KDM4E (0.32) KDM4EGLAGAA
SCHEMBL7853790 0.85 KDM4E (0.32) PTPN1KDM4EGLAGAA
Oxalic Acid SCHEMBL7854509 0.84 NOS3 (0.31) DRD2DRD4DRD3
SCHEMBL7854990 0.83 ALDH1A1 (0.34) KDM4EGLAGAA

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-0719258-B1 CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS OTSUKA PHARMA CO LTD (JP) 2001-10-31 EP claimed
US-5786367-A OXYGEN SCAVENGERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-07-28 US claimed