SCHEMBL9276302

SCHEMBL9276302

CCCc1cc(C=CC(=O)c2ccc(OC(=O)C(C)(C)C)cc2)c(OCC)c(OC)c1OC(=O)C(C)(C)C.CCOc1c(C=CC(=O)c2ccc(OC(=O)C(C)(C)C)cc2)cc(C(C)C)c(OC(=O)C(C)(C)C)c1OC

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.42
CYP1A1 P04798 3/20 0.42
CYP1B1 Q16678 3/20 0.42
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DPP4 P27487 5/20 0.41
MAOB P27338 1/20 0.38

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
SCHEMBL7186239 0.94 PTPN1 (0.46) PTPN1CYP1A1CYP1B1KDM4ELMNA
SCHEMBL7191627 0.93 CYP1A1 (0.47) PTPN1CYP1A1CYP1B1KDM4ELMNA
SCHEMBL7181226 0.89 DPP4 (0.46) PTPN1CYP1A1CYP1B1KDM4ELMNA
SCHEMBL7186206 0.89 PTPN1 (0.46) PTPN1KDM4ELMNAMAPTALDH1A1
SCHEMBL9273431 0.88 PTPN1 (0.42) PTPN1CYP1A1CYP1B1KDM4ELMNA
SCHEMBL7187652 0.88 DPP4 (0.47) PTPN1CYP1A1CYP1B1KDM4ELMNA
SCHEMBL7179053 0.88 PTPN1 (0.48) PTPN1CYP1A1CYP1B1KDM4ELMNA
SCHEMBL7187221 0.87 PTPN1 (0.42) PTPN1CYP1A1CYP1B1KDM4ELMNA
SCHEMBL7186746 0.87 PTPN1 (0.46) PTPN1KDM4ELMNAMAPTALDH1A1
SCHEMBL7184360 0.84 PTPN1 (0.59) PTPN1CYP1A1CYP1B1KDM4ELMNA

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