SCHEMBL9112370

SCHEMBL9112370

COc1ccc(C(=O)C=Cc2cc(C(C)(C)C)c(OC)cc2OC)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.78
TNFRSF1A P19438 1/20 0.67
ABCG2 Q9UNQ0 3/20 0.66
DPP4 P27487 3/20 0.62
MAOB P27338 1/20 0.60
MAPT P10636 3/20 0.58
LMNA P02545 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
HPGD P15428 1/20 0.58
KDM4E B2RXH2 1/20 0.58
ATM Q13315 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
CYP1A1 P04798 1/20 0.58
CYP1B1 Q16678 1/20 0.58
NPC1 O15118 1/20 0.57
ALDH1A1 P00352 1/20 0.57
RAB9A P51151 1/20 0.57
IDH1 O75874 1/20 0.57
ABCB1 P08183 1/20 0.57
UGT1A1 P22309 1/20 0.57

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
SCHEMBL7184962 0.90 PTPN1 (0.67) PTPN1TNFRSF1AABCG2DPP4IDH1
SCHEMBL7184954 0.90 PTPN1 (0.67) PTPN1TNFRSF1AABCG2DPP4IDH1
SCHEMBL7184285 0.90 PTPN1 (0.78) PTPN1ABCG2DPP4MAOBCYP1A1
SCHEMBL7184292 0.90 PTPN1 (0.78) PTPN1ABCG2DPP4MAOBCYP1A1
SCHEMBL9114676 0.89 DPP4 (0.66) PTPN1ABCG2DPP4MAOBMAPT
SCHEMBL9113945 0.89 PTPN1 (0.64) PTPN1TNFRSF1AABCG2DPP4MAOB
SCHEMBL7185085 0.89 ABCG2 (0.64) PTPN1TNFRSF1AABCG2DPP4CYP1A1
SCHEMBL7185074 0.89 ABCG2 (0.64) PTPN1TNFRSF1AABCG2DPP4CYP1A1
SCHEMBL7177707 0.88 PTPN1 (0.70) PTPN1TNFRSF1AABCG2DPP4CYP1A1
SCHEMBL7177703 0.88 PTPN1 (0.70) PTPN1TNFRSF1AABCG2DPP4CYP1A1

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
WO-1995006628-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-03-09 WO claimed
WO-1995006628-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-03-09 WO disclosed