SCHEMBL9310057

SCHEMBL9310057

C=Cc1ccc(CC)c(CCC)c1CCC

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.33
KDM4E B2RXH2 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
SCHEMBL9310273 0.94 THRB (0.33) THRBKDM4EALDH1A1GAAHPGD
SCHEMBL9310061 0.90 KDM4E (0.33) THRBKDM4EALDH1A1GAAHPGD
Ammonia Solution, Strong SCHEMBL27543494 0.85 KDM4E (0.31) KDM4EALDH1A1GAAHPGD
SCHEMBL9312056 0.83 GABRA1 (0.38) THRBKDM4EALDH1A1GAAHPGD
SCHEMBL585023 0.82
SCHEMBL4961436 0.79 TYR (0.38) THRBHPGD
SCHEMBL17160001 0.79 KDM4E (0.32) KDM4EALDH1A1GAAHPGD
SCHEMBL9312352 0.79 KDM4E (0.37) KDM4EALDH1A1GAAHPGD
Hydrochloric Acid SCHEMBL28664970 0.78
SCHEMBL9311943 0.78 NOS2 (0.39) THRBKDM4EALDH1A1GAAHPGD

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