SCHEMBL9312352

SCHEMBL9312352

C=Cc1ccc(C)c(CC)c1CCC

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.37
NOS2 P35228 2/20 0.37
NOS3 P29474 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 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
SCHEMBL9311943 0.92 NOS2 (0.39) KDM4ENOS2ALDH1A1GAAHPGD
SCHEMBL9312320 0.88 NOS3 (0.35) KDM4EPOLBNOS2NOS3
SCHEMBL9310237 0.83 NOS2 (0.34) KDM4ENOS2ALDH1A1GAAHPGD
SCHEMBL28664021 0.81 KDM4E (0.37) KDM4EPOLBNOS2NOS3ALDH1A1
SCHEMBL9310273 0.81 THRB (0.33) KDM4EALDH1A1GAAHPGD
SCHEMBL9310858 0.79 TSHR (0.38) KDM4ENOS2ALDH1A1GAAHPGD
SCHEMBL9310057 0.79 THRB (0.33) KDM4EALDH1A1GAAHPGD
SCHEMBL9310987 0.79 NOS3 (0.31) NOS2NOS3
SCHEMBL28736342 0.79 NOS3 (0.34) NOS2NOS3
SCHEMBL9310061 0.77 KDM4E (0.33) KDM4EALDH1A1GAAHPGD

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
US-5326489-A Sulfonated polymer NIPPON SHOKUBAI CO., LTD. (JP) 1994-07-05 US disclosed
EP-0523300-B1 Electrorheological fluids NIPPON CATALYTIC CHEM IND (JP) 1994-01-19 EP disclosed
EP-0523300-A1 Electrorheological fluids NIPPON SHOKUBAI KAGAKU KOGYO CO. LTD. (JP) 1993-01-20 EP disclosed