SCHEMBL9204052

SCHEMBL9204052

C#Cc1ccc(C23OCC(CCCCC)(CO2)CO3)cc1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.31
SLC6A4 P31645 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
SCHEMBL9211037 0.96 CYP2C9 (0.32) CYP2C9
SCHEMBL9212527 0.90
SCHEMBL9205271 0.83
SCHEMBL9211298 0.82
SCHEMBL9206665 0.79 CYP3A4 (0.34) CYP2C9
SCHEMBL12965081 0.78 ESR1 (0.44) SLC6A4
SCHEMBL9214921 0.78
SCHEMBL9667383 0.77 SLC6A4 (0.38) SLC6A4
SCHEMBL9207546 0.77 GABRP (0.31)
SCHEMBL9208626 0.77 CYP2C9 (0.30) CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0216624-B1 Pesticidal compounds ROUSSEL UCLAF (FR) 1995-02-22 EP claimed
EP-0216624-A2 Pesticidal compounds ROUSSEL-UCLAF (FR) 1987-04-01 EP claimed
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