SCHEMBL9112836

SCHEMBL9112836

C=CCc1c(/C=C/C(=O)c2ccc(OC)cc2)cc(OCC)cc1OCC

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.61
MAOB P27338 2/20 0.56
TNFRSF1A P19438 1/20 0.54
CYP1A1 P04798 1/20 0.53
CYP1B1 Q16678 1/20 0.53
ABCG2 Q9UNQ0 1/20 0.52
DPP4 P27487 2/20 0.52
KDM4E B2RXH2 2/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
GABRA3 P34903 1/20 0.51
GABRA2 P47869 1/20 0.51
GABRB2 P47870 1/20 0.51
ALDH1A1 P00352 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL9112844 1.00 PTPN1 (0.61) PTPN1MAOBTNFRSF1ACYP1A1CYP1B1
SCHEMBL9113689 0.95 PTPN1 (0.61) PTPN1MAOBCYP1A1CYP1B1ABCG2
SCHEMBL9113686 0.95 PTPN1 (0.61) PTPN1MAOBCYP1A1CYP1B1ABCG2
SCHEMBL9111958 0.92 PTPN1 (0.67) PTPN1MAOBTNFRSF1ACYP1A1CYP1B1
SCHEMBL9111964 0.92 PTPN1 (0.67) PTPN1MAOBTNFRSF1ACYP1A1CYP1B1
SCHEMBL9111733 0.91 PTPN1 (0.57) PTPN1MAOBCYP1A1CYP1B1ABCG2
SCHEMBL9111742 0.91 PTPN1 (0.57) PTPN1MAOBCYP1A1CYP1B1ABCG2
SCHEMBL9114029 0.90 PTPN1 (0.57) PTPN1MAOBCYP1A1CYP1B1ABCG2
SCHEMBL9114026 0.90 PTPN1 (0.57) PTPN1MAOBCYP1A1CYP1B1ABCG2
SCHEMBL9115078 0.90 PTPN1 (0.55) PTPN1TNFRSF1ACYP1A1CYP1B1ABCG2

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