SCHEMBL9111964

SCHEMBL9111964

C=CCc1c(C=CC(=O)c2ccc(OCC)cc2)cc(OC)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 0.67
DPP4 P27487 2/20 0.57
KDM4E B2RXH2 2/20 0.56
LMNA P02545 2/20 0.56
MAPT P10636 2/20 0.56
ALDH1A1 P00352 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CYP1A1 P04798 1/20 0.56
CYP1B1 Q16678 1/20 0.56
MAOB P27338 1/20 0.56
ABCG2 Q9UNQ0 2/20 0.55
TNFRSF1A P19438 1/20 0.54

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
SCHEMBL9111958 1.00 PTPN1 (0.67) PTPN1DPP4KDM4ELMNAMAPT
SCHEMBL9112327 0.92 PTPN1 (0.65) PTPN1DPP4KDM4ELMNAMAPT
SCHEMBL9112321 0.92 PTPN1 (0.65) PTPN1DPP4KDM4ELMNAMAPT
SCHEMBL9112315 0.92 DPP4 (0.58) PTPN1DPP4CYP1A1CYP1B1ABCG2
SCHEMBL9112313 0.92 DPP4 (0.58) PTPN1DPP4CYP1A1CYP1B1ABCG2
SCHEMBL9114538 0.92 PTPN1 (0.67) PTPN1KDM4ELMNAMAPTALDH1A1
SCHEMBL9112836 0.92 PTPN1 (0.61) PTPN1DPP4KDM4ELMNAMAPT
SCHEMBL9114536 0.92 PTPN1 (0.67) PTPN1KDM4ELMNAMAPTALDH1A1
SCHEMBL9112844 0.92 PTPN1 (0.61) PTPN1DPP4KDM4ELMNAMAPT
SCHEMBL9113689 0.90 PTPN1 (0.61) PTPN1DPP4KDM4ELMNAMAPT

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