SCHEMBL9112959

SCHEMBL9112959

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

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.61
CYP1A1 P04798 2/20 0.60
CYP1B1 Q16678 2/20 0.60
ABCG2 Q9UNQ0 3/20 0.56
PTPN1 P18031 1/20 0.56
TNFRSF1A P19438 1/20 0.55
MAPT P10636 5/20 0.51
LMNA P02545 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
KDM4E B2RXH2 3/20 0.51
HPGD P15428 1/20 0.51
ATM Q13315 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL9112950 1.00 DPP4 (0.61) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL9112991 0.92 DPP4 (0.59) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL9112998 0.92 DPP4 (0.59) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL9111913 0.92 TNFRSF1A (0.64) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL9111920 0.92 TNFRSF1A (0.64) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL9112484 0.91 CYP1A1 (0.58) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL9115035 0.90 DPP4 (0.56) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL9112315 0.89 DPP4 (0.58) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL9115268 0.89 PTPN1 (0.59) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL9112313 0.89 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