SCHEMBL9495808

SCHEMBL9495808

C[Si](C)(C)OC1C=Cc2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.35
HTR2A P28223 2/20 0.34
HTR6 P50406 1/20 0.34
SIGMAR1 Q99720 6/20 0.32
CYP2D6 P10635 2/20 0.32
KDM4E B2RXH2 2/20 0.32
BRD4 O60885 1/20 0.32
CCL2 P13500 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CHRM2 P08172 1/20 0.32
CYP3A4 P08684 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD2 P14416 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
NFKB1 P19838 1/20 0.32
CHRM3 P20309 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2C P28335 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
SCHEMBL459514 0.82 RET (0.32) RETHTR2AHTR6
SCHEMBL1680359 0.78 RET (0.38) RETHTR2AHTR6SIGMAR1CYP2D6
SCHEMBL7943595 0.77 KDM4E (0.32) RETHTR2AHTR6SIGMAR1CYP2D6
SCHEMBL5150447 0.74 HTR2A (0.38) RETHTR2AHTR6SIGMAR1CYP2D6
SCHEMBL7197990 0.74 HTR2A (0.38) RETHTR2AHTR6SIGMAR1CYP2D6
SCHEMBL1680358 0.74 HTR2A (0.38) RETHTR2AHTR6SIGMAR1CYP2D6
SCHEMBL4516491 0.73 RET (0.42) RETHTR2AHTR6SIGMAR1CYP2D6
SCHEMBL5718857 0.73 RET (0.35) RETHTR2AHTR6SIGMAR1CYP2D6
SCHEMBL5033507 0.73 RET (0.35) RETHTR2AHTR6SIGMAR1CYP2D6
SCHEMBL30718139 0.73 RET (0.35) RETHTR2AHTR6SIGMAR1CYP2D6

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-0240859-B1 LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1993-04-28 EP disclosed
US-4761403-A QUINOLONE DERIVATIVES ABBOTT LABORATORIES (US) 1988-08-02 US disclosed
EP-0240859-A2 Lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1987-10-14 EP disclosed