Sugi Predict

Sugi Predict / Compounds / SCHEMBL20198327

SCHEMBL20198327

SCHEMBL20198327

Cc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(C(=O)c3ccc(C(=O)c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)cc21

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 12/20 0.52
▸ CNR2 P34972 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ SRD5A2 P31213 1/20 0.40
▸ ESR1 P03372 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ ELANE P08246 1/20 0.39

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
SCHEMBL4402239 1.00 PDK2 (0.52) PDK2CNR2ALDH1A1LMNASRD5A2
SCHEMBL4402296 1.00 PDK2 (0.52) PDK2CNR2ALDH1A1LMNASRD5A2
SCHEMBL12336798 1.00 PDK2 (0.52) PDK2CNR2ALDH1A1LMNASRD5A2
SCHEMBL4401186 0.98 PDK2 (0.50) PDK2CNR2ALDH1A1LMNAESR1
SCHEMBL4401091 0.98 PDK2 (0.50) PDK2CNR2ALDH1A1LMNAESR1
SCHEMBL4401188 0.98 PDK2 (0.50) PDK2CNR2ALDH1A1LMNAESR1
SCHEMBL12336905 0.98 PDK2 (0.50) PDK2CNR2ALDH1A1LMNAESR1
SCHEMBL17928299 0.97 PDK2 (0.57) PDK2CNR2ALDH1A1LMNASRD5A2
SCHEMBL4402334 0.95 PDK2 (0.54) PDK2CNR2ALDH1A1LMNASRD5A2
SCHEMBL4403150 0.92 CNR2 (0.55) PDK2CNR2ALDH1A1LMNASRD5A2

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
EP-1675930-B1 NEW MATERIALS FOR ELECTROLUMINESCENCE AND THE UTILIZATION THEREOF MERCK PATENT GMBH (DE) 2018-05-30 — — EP disclosed
Send feedback