SCHEMBL10967797

SCHEMBL10967797

COC(=O)C(C)c1ccc(O)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 1/20 0.55
FOLH1 Q04609 1/20 0.53
MAOB P27338 6/20 0.51
PTGS2 P35354 2/20 0.48
PTGS1 P23219 2/20 0.48
SHBG P04278 1/20 0.45
APP P05067 3/20 0.43
CYP2C19 P33261 2/20 0.43
PGR P06401 1/20 0.43
PDE4A P27815 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL31560842 0.86 PTGS1 (0.50) MT-CO2MAOBPTGS2PTGS1APP
SCHEMBL13176797 0.84 MT-CO2 (0.59) MT-CO2PTGS2PTGS1CYP2C19CYP3A4
SCHEMBL19392984 0.83 MT-CO2 (0.55) MT-CO2MAOBPTGS2PTGS1APP
SCHEMBL8321208 0.82 MT-CO2 (0.47) MT-CO2MAOBPTGS2PTGS1APP
SCHEMBL30192791 0.82 MT-CO2 (0.47) MT-CO2MAOBPTGS2PTGS1APP
SCHEMBL24875457 0.82 MT-CO2 (0.47) MT-CO2MAOBPTGS2PTGS1APP
SCHEMBL13194589 0.82 MT-CO2 (0.47) MT-CO2MAOBPTGS2PTGS1APP
SCHEMBL10911105 0.82 FOLH1 (0.49) MT-CO2FOLH1MAOBSHBG
SCHEMBL8476208 0.82 MT-CO2 (0.47) MT-CO2MAOBPTGS2PTGS1APP
SCHEMBL15563590 0.81 MAOB (0.52) MT-CO2MAOBPTGS2PTGS1CYP2C19

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-0074170-B1 CHROMAN COMPOUNDS, PROCESS FOR PRODUCING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM NIPPON ZOKI PHARMACEUTICAL CO. LTD. (JP) 1985-10-16 EP disclosed
US-4545993-A ANTINFLAMMATORY AGENTS, ANTIPYRETICS, ANALGESICS NIPPON ZOKI PHARMACEUTICAL CO. LTD. (JP) 1985-10-08 US disclosed
EP-0074170-A1 Chroman compounds, process for producing them and pharmaceutical compositions containing them NIPPON ZOKI PHARMACEUTICAL CO. LTD. (JP) 1983-03-16 EP disclosed