SCHEMBL7713208

SCHEMBL7713208

CC(C)(C)[Si](Oc1cccc2c1CCCC(CO)C2O)(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.35
SIGMAR1 Q99720 5/20 0.33
BLM P54132 1/20 0.32
TSHR P16473 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
ACHE P22303 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA1A P35348 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 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
SCHEMBL7484758 0.84 KMT2A (0.46) KMT2ASIGMAR1CA1CA2ACHE
SCHEMBL7495469 0.84 KMT2A (0.46) KMT2ASIGMAR1CA1CA2ACHE
SCHEMBL7718887 0.82 PTGIR (0.40)
SCHEMBL9017256 0.80 ACHE (0.34) SIGMAR1BLMTSHRACHE
SCHEMBL7485460 0.80 ACHE (0.42) SIGMAR1CA1CA2ACHEHTR1A
SCHEMBL7776663 0.79 HTR1A (0.33) SIGMAR1ACHEHTR1AADRA1A
SCHEMBL7776660 0.79 HTR1A (0.33) SIGMAR1ACHEHTR1AADRA1A
SCHEMBL7772413 0.78 MAPT (0.37) TSHRACHEHTR1A
SCHEMBL7713227 0.77 CYP19A1 (0.37) SIGMAR1
SCHEMBL7718891 0.77 DRD2 (0.36) SIGMAR1CA1CA2ACHEADRA1A

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-6384072-B1 CARBAMYL SUBSTITUTED COMPOUNDS WITH ETHER GROUPS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-07 US disclosed