SCHEMBL8960950

SCHEMBL8960950

C=CCN1C(=O)C(C)(C)c2c(O)ccc(CCC)c21

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.37
GAA P10253 2/20 0.36
TSHR P16473 1/20 0.36
PGR P06401 1/20 0.34
EP300 Q09472 1/20 0.33
ELANE P08246 1/20 0.32
CTSG P08311 1/20 0.32
POLB P06746 2/20 0.31
ALDH1A1 P00352 1/20 0.31
KDM4E B2RXH2 2/20 0.30
LMNA P02545 1/20 0.30
CNR1 P21554 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
SCHEMBL8960633 0.92 TYR (0.37) GAATSHRPGREP300ELANE
SCHEMBL8557250 0.79 ELANE (0.51) GAATSHRPGRELANECTSG
SCHEMBL8553469 0.72 ELANE (0.49) ELANECTSGALDH1A1KDM4ELMNA
SCHEMBL8558518 0.71 ELANE (0.48) EP300ELANECTSGALDH1A1LMNA
SCHEMBL10953644 0.66 GAA (0.45) GAATSHRPGRELANEPOLB
SCHEMBL8556960 0.64 PDK2 (0.44) PRKCIELANECTSGCNR1
SCHEMBL27096133 0.63 GAA (0.42) GAATSHRPGREP300ELANE
SCHEMBL8556687 0.60 ELANE (0.56) GAAPGREP300ELANECTSG
SCHEMBL25502419 0.60 GAA (0.58) GAATSHRPOLBALDH1A1KDM4E
SCHEMBL10556789 0.59 PRKCI (0.77) PRKCIELANECTSGPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5510366-A INOTROPIC, ANTIARRHYMTHMIA AGENTS, VASODILATORS KOWA CO., LTD. (JP) 1996-04-23 US disclosed