SCHEMBL9197967

SCHEMBL9197967

C/C=C/Cc1cc(C/C=C/C)c(OCOC(=O)C(C)(C)C)c(/C=C/C(=O)c2ccc(OCOC(=O)C(C)(C)C)cc2)c1OC.C=CCc1cc(CC=C)c(OCOC(=O)C(C)(C)C)c(/C=C/C(=O)c2ccc(OCOC(=O)C(C)(C)C)cc2)c1OC

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 18/20 0.45
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EGFR P00533 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL7184361 0.96 KDM4E (0.41) PTPN1KDM4EALDH1A1LMNAMAPT
SCHEMBL7184353 0.96 KDM4E (0.41) PTPN1KDM4EALDH1A1LMNAMAPT
SCHEMBL7182365 0.95 PTPN1 (0.49) PTPN1KDM4EALDH1A1LMNAMAPT
SCHEMBL7182372 0.95 PTPN1 (0.49) PTPN1KDM4EALDH1A1LMNAMAPT
SCHEMBL7186043 0.88 MAOB (0.42) PTPN1KDM4EALDH1A1LMNAMAPT
SCHEMBL7186039 0.88 MAOB (0.42) PTPN1KDM4EALDH1A1LMNAMAPT
SCHEMBL7183992 0.87 PTPN1 (0.52) PTPN1KDM4EALDH1A1LMNAMAPT
SCHEMBL7183999 0.87 PTPN1 (0.52) PTPN1KDM4EALDH1A1LMNAMAPT
SCHEMBL7185304 0.87 ABCG2 (0.42) PTPN1KDM4EALDH1A1LMNAMAPT
SCHEMBL7185312 0.87 ABCG2 (0.42) PTPN1KDM4EALDH1A1LMNAMAPT

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
EP-0634927-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-01-25 EP disclosed
WO-1993017671-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1993-09-16 WO disclosed