SCHEMBL7802397

SCHEMBL7802397

COc1ccc(C(=O)C=Cc2cc(OC(C)(C)C)ccc2OC(C)(C)C)cc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.69
LMNA P02545 2/20 0.65
MAPT P10636 2/20 0.65
KDM4E B2RXH2 1/20 0.65
ATM Q13315 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
TNFRSF1A P19438 3/20 0.60
GABRA3 P34903 1/20 0.60
GABRA2 P47869 1/20 0.60
GABRB2 P47870 1/20 0.60
DPP4 P27487 2/20 0.59
PTPN1 P18031 4/20 0.58
MAOB P27338 2/20 0.56
HPGD P15428 1/20 0.55
F3 P13726 1/20 0.54
CAPN1 P07384 1/20 0.53

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
SCHEMBL7802395 1.00 ABCG2 (0.69) ABCG2LMNAMAPTKDM4EATM
SCHEMBL7179843 0.90 TNFRSF1A (0.71) ABCG2LMNAMAPTKDM4EATM
SCHEMBL7179848 0.90 TNFRSF1A (0.71) ABCG2LMNAMAPTKDM4EATM
SCHEMBL9113865 0.88 TNFRSF1A (0.61) ABCG2LMNAMAPTKDM4EATM
SCHEMBL9113870 0.88 TNFRSF1A (0.61) ABCG2LMNAMAPTKDM4EATM
SCHEMBL7191026 0.86 DPP4 (0.59) ABCG2LMNAMAPTKDM4EATM
SCHEMBL7191031 0.86 DPP4 (0.59) ABCG2LMNAMAPTKDM4EATM
SCHEMBL7185439 0.85 ABCG2 (0.53) ABCG2LMNAMAPTKDM4EATM
SCHEMBL7185441 0.85 ABCG2 (0.53) ABCG2LMNAMAPTKDM4EATM
SCHEMBL9113262 0.85 TNFRSF1A (0.58) ABCG2LMNAMAPTKDM4EATM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0634927-B1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA LICA PHARMACEUTICALS AS (DK) 2001-07-04 EP disclosed
US-5985935-A PARASITICIDES OR BACTERICIDES STATENS SERUMINSTITUT (DK) 1999-11-16 US disclosed
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