SCHEMBL9846682

SCHEMBL9846682

CCC1(CC)N=C(N2CC(C)CC2=O)c2ccccc2O1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.30
CASP7 P55210 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
SCHEMBL9846679 0.79 SIGMAR1 (0.33)
SCHEMBL9846748 0.79 TSHR (0.38)
SCHEMBL9846738 0.66 LMNA (0.33)
SCHEMBL9846695 0.65 BACE1 (0.34)
SCHEMBL7783228 0.65 ALDH1A1 (0.34)
SCHEMBL435086 0.63 POLB (0.57)
SCHEMBL19998591 0.63 POLB (0.57)
SCHEMBL9846701 0.63 ATM (0.33)
SCHEMBL9376272 0.62 ADK (0.32)
SCHEMBL9846780 0.62 PDK2 (0.39)

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-0450487-A1 Benzoxazine derivatives, method for their preparation and their use for treating or prophylaxis of diseases HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-09 EP disclosed