SCHEMBL9113002

SCHEMBL9113002

C=CCc1cc(/C=C/C(=O)c2ccc(OC)cc2)c(OC)cc1OC

nearest known ligand 0.83

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 18/20 0.83
ABCG2 Q9UNQ0 1/20 0.64
TNFRSF1A P19438 1/20 0.63

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
SCHEMBL9113009 1.00 PTPN1 (0.83) PTPN1ABCG2TNFRSF1A
SCHEMBL7191452 0.91 PTPN1 (0.84) PTPN1
SCHEMBL7184322 0.91 PTPN1 (0.84) PTPN1
SCHEMBL9112478 0.91 PTPN1 (0.84) PTPN1
SCHEMBL9112482 0.91 PTPN1 (0.84) PTPN1
SCHEMBL28796198 0.91 PTPN1 (1.00) PTPN1
SCHEMBL7177792 0.91 PTPN1 (0.85) PTPN1
SCHEMBL7177786 0.91 PTPN1 (0.85) PTPN1
SCHEMBL7184313 0.90 PTPN1 (0.69) PTPN1
SCHEMBL7184316 0.90 PTPN1 (0.69) PTPN1

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
WO-1995006628-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-03-09 WO claimed