SCHEMBL9214306

SCHEMBL9214306

C[Si](C)(C)C#Cc1ccc(C23OCC(c4ccccc4)(CO2)CO3)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA2 P47869 2/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CHRNB2 P17787 1/20 0.31

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
SCHEMBL9451685 0.87 CHRNA1 (0.34) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL9451535 0.84 SLC6A4 (0.38) CYP1A2CHRNB2SLC6A2CHRNB4CHRNA3
SCHEMBL9451674 0.82 BACE1 (0.32)
SCHEMBL23117237 0.79 PNMT (0.41) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL9212549 0.78 CYP2C9 (0.42) CYP2C9CHRNB2SLC6A2CHRNB4CHRNA3
SCHEMBL9208402 0.78 KDM4E (0.41) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL9205348 0.78
SCHEMBL9208191 0.78 ADK (0.31)
SCHEMBL18084692 0.77 PGR (0.33) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9451477 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0216624-B1 Pesticidal compounds ROUSSEL UCLAF (FR) 1995-02-22 EP disclosed
US-5371075-A Pesticides ROUSSEL-UCLAF (FR) 1994-12-06 US disclosed
US-5157029-A Insecticides, miticides THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1992-10-20 US disclosed
US-5057508-A Bicyclo(2-2-1)octanes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1991-10-15 US disclosed
US-4965257-A INSECTICIDES, ACARICIDES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1990-10-23 US disclosed
EP-0216624-A2 Pesticidal compounds ROUSSEL-UCLAF (FR) 1987-04-01 EP disclosed