SCHEMBL9114826

SCHEMBL9114826

CCCOc1ccc(C(=O)C=Cc2cc(OC(C)(C)C)cc(OC(C)(C)C)c2CCC)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.53
CYP1A1 P04798 3/20 0.52
CYP1B1 Q16678 3/20 0.52
ABCG2 Q9UNQ0 3/20 0.49
PTPN1 P18031 1/20 0.46
PPARA Q07869 2/20 0.42
PPARG P37231 2/20 0.42
TNFRSF1A P19438 1/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL9115077 0.93 DPP4 (0.51) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL9113717 0.90 TNFRSF1A (0.54) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL9113713 0.90 TNFRSF1A (0.54) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL9112496 0.89 DPP4 (0.51) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL9115802 0.89 PTPN1 (0.49) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL9112500 0.89 DPP4 (0.51) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL9115797 0.89 PTPN1 (0.49) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL9112668 0.89 CAPN1 (0.46) DPP4ABCG2PTPN1
SCHEMBL9112664 0.89 CAPN1 (0.46) DPP4ABCG2PTPN1
SCHEMBL9114596 0.88 DPP4 (0.58) DPP4CYP1A1CYP1B1ABCG2PTPN1

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