SCHEMBL7735453

SCHEMBL7735453

CO[C@@H]1CCCC2CCCCC21

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 5/20 0.35
APLNR P35414 1/20 0.32
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
POLB P06746 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL96944 1.00 KDM4E (0.38) KDM4EALDH1A1APLNRLMNAHTT
SCHEMBL10825504 1.00 KDM4E (0.38) KDM4EALDH1A1APLNRLMNAHTT
SCHEMBL22007037 0.97 KDM4E (0.34) KDM4EALDH1A1APLNR
SCHEMBL96365 0.97 KDM4E (0.34) KDM4EALDH1A1APLNR
SCHEMBL5696574 0.95 KDM4E (0.38) KDM4EALDH1A1APLNRLMNAHTT
SCHEMBL96617 0.92 KDM4E (0.32) KDM4EAPLNR
SCHEMBL96759 0.90 APLNR (0.37) KDM4EALDH1A1APLNR
SCHEMBL14223298 0.90 APLNR (0.37) APLNR
SCHEMBL25487367 0.83 KDM4E (0.43) KDM4EALDH1A1APLNRLMNAHTT
SCHEMBL15494142 0.83 KDM4E (0.38) KDM4EALDH1A1APLNRLMNAHTT

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-0990634-B1 ACYLATING AGENTS, ACYLATION METHOD WITH THE USE OF THE SAME AND ADAMANTANE DERIVATIVES DAICEL CHEM (JP) 2013-04-10 EP disclosed
US-6429314-B1 USING 1,2-DICARBONYL DERIVATIVE OR ITS HYDROXY REDUCTIVE, OXYGEN, COBALT ACETATE METAL COMPOUND, AND N-HYDROXYPHTHALIMIDE OR OTHER IMIDE DERIVATIVE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-08-06 US disclosed
EP-0990634-A1 ACYLATING AGENTS, ACYLATION METHOD WITH THE USE OF THE SAME AND ADAMANTANE DERIVATIVES Daicel Chemical Industries, Ltd. (JP) 2000-04-05 EP disclosed