SCHEMBL9501532

SCHEMBL9501532

COc1ccc2c(c1)CCC(Br)(C(=O)O)C2=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.61
PRNP P04156 1/20 0.49
KDM4E B2RXH2 3/20 0.46
GLA P06280 2/20 0.46
MEN1 O00255 1/20 0.45
ALPL P05186 1/20 0.45
CLK1 P49759 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CYP26A1 O43174 2/20 0.44
CYP24A1 Q07973 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
DGAT1 O75907 2/20 0.43
MIF P14174 2/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 2/20 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
SCHEMBL30475131 0.77 SMN1; SMN2 (0.67) SMN1; SMN2PRNPKDM4EGLAMEN1
SCHEMBL630002 0.77 SMN1; SMN2 (0.66) SMN1; SMN2PRNPCYP26A1CA1CA2
SCHEMBL28277512 0.75 SIGMAR1 (0.46) MAPTTDP1L3MBTL1
SCHEMBL13477053 0.75 SMN1; SMN2 (0.70) SMN1; SMN2PRNPKDM4EGLAMEN1
SCHEMBL13477088 0.75 SMN1; SMN2 (0.70) SMN1; SMN2PRNPKDM4EGLACYP26A1
SCHEMBL7832178 0.74 SMN1; SMN2 (0.59) SMN1; SMN2PRNPKDM4EGLAMEN1
SCHEMBL27081326 0.74 SMN1; SMN2 (0.59) SMN1; SMN2PRNPCA1CA2CA4
SCHEMBL18815844 0.74 SMN1; SMN2 (0.59) SMN1; SMN2PRNPCA1CA2CA4
SCHEMBL13822557 0.74 SMN1; SMN2 (0.55) SMN1; SMN2PRNPKDM4EMEN1KMT2A
SCHEMBL8012040 0.73 SMN1; SMN2 (0.61) SMN1; SMN2PRNPCYP26A1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0279466-B1 NOVEL NAPHTHALENE DERIVATIVES AND ANTIALLERGY AND ANTI-INFLAMMATORY PHARMACEUTICALS WARNER-LAMBERT COMPANY (US) 1993-05-19 EP disclosed
US-4767776-A N-1H-tetrazol-5-yl-2-naphthalene carboxamides and their use as antiallergy and antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1988-08-30 US disclosed
EP-0279466-A2 Novel naphthalene derivatives and antiallergy and anti-inflammatory pharmaceuticals WARNER-LAMBERT COMPANY (US) 1988-08-24 EP disclosed