SCHEMBL9114495

SCHEMBL9114495

C=CCOc1ccc(C(=O)C=Cc2cc(CC=C)c(OCCCC)c(OCCCC)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 0.56
ABCG2 Q9UNQ0 2/20 0.51
KDM4E B2RXH2 2/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
ALDH1A1 P00352 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
EGFR P00533 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
BCHE P06276 5/20 0.48
ACHE P22303 3/20 0.48

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
SCHEMBL9115277 0.96 PTPN1 (0.56) PTPN1ABCG2KDM4ELMNAMAPT
SCHEMBL9112473 0.93 KDM4E (0.50) PTPN1ABCG2KDM4ELMNAMAPT
SCHEMBL9113176 0.93 ABCG2 (0.55) PTPN1ABCG2KDM4ELMNAMAPT
SCHEMBL9111075 0.91 ABCG2 (0.57) PTPN1ABCG2KDM4ELMNAMAPT
SCHEMBL9113637 0.90 KDM4E (0.58) PTPN1ABCG2KDM4ELMNAMAPT
SCHEMBL9113628 0.90 KDM4E (0.58) PTPN1ABCG2KDM4ELMNAMAPT
SCHEMBL9112053 0.89 ABCG2 (0.50) PTPN1ABCG2KDM4ELMNAMAPT
SCHEMBL9112433 0.89 ABCG2 (0.54) PTPN1ABCG2KDM4ELMNAMAPT
SCHEMBL9111894 0.86 ABCG2 (0.56) PTPN1ABCG2KDM4ELMNAMAPT
SCHEMBL9110663 0.86 KDM4E (0.49) PTPN1ABCG2KDM4ELMNAMAPT

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