SCHEMBL9115495

SCHEMBL9115495

C=CCc1c(/C=C/C(=O)c2ccc(OC)cc2)cc(OC(C)(C)C)cc1OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 9/20 0.56
TNFRSF1A P19438 1/20 0.53
ABCG2 Q9UNQ0 1/20 0.51
GABRA3 P34903 1/20 0.50
GABRA2 P47869 1/20 0.50
GABRB2 P47870 1/20 0.50
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ATM Q13315 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
DPP4 P27487 1/20 0.47
MAOB P27338 2/20 0.47
CYP1A1 P04798 1/20 0.47
CYP1B1 Q16678 1/20 0.47

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
SCHEMBL9115500 1.00 PTPN1 (0.56) PTPN1TNFRSF1AABCG2GABRA3GABRA2
SCHEMBL9110966 0.91 PTPN1 (0.53) PTPN1ABCG2DPP4MAOB
SCHEMBL9112493 0.91 PTPN1 (0.53) PTPN1ABCG2DPP4MAOB
SCHEMBL9111732 0.90 PTPN1 (0.56) PTPN1TNFRSF1AABCG2LMNAMAPT
SCHEMBL9114025 0.90 PTPN1 (0.56) PTPN1ABCG2LMNAMAPTKDM4E
SCHEMBL9114030 0.90 PTPN1 (0.56) PTPN1ABCG2LMNAMAPTKDM4E
SCHEMBL9111743 0.90 PTPN1 (0.56) PTPN1TNFRSF1AABCG2LMNAMAPT
SCHEMBL9112500 0.88 DPP4 (0.51) PTPN1ABCG2DPP4CYP1A1CYP1B1
SCHEMBL9112496 0.88 DPP4 (0.51) PTPN1ABCG2DPP4CYP1A1CYP1B1
SCHEMBL9112321 0.87 PTPN1 (0.65) PTPN1TNFRSF1AABCG2GABRA3GABRA2

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