SCHEMBL9113262

SCHEMBL9113262

COc1ccc(C(=O)C=Cc2cc(OC(C)(C)C)cc(OC(C)(C)C)c2C(C)(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 2/20 0.58
ABCG2 Q9UNQ0 1/20 0.56
GABRA3 P34903 1/20 0.55
GABRA2 P47869 1/20 0.55
GABRB2 P47870 1/20 0.55
MAPT P10636 3/20 0.54
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HPGD P15428 1/20 0.54
KDM4E B2RXH2 1/20 0.54
ATM Q13315 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
F3 P13726 1/20 0.52
MAOB P27338 4/20 0.52
DPP4 P27487 2/20 0.52
PTPN1 P18031 3/20 0.51
CYP1A1 P04798 1/20 0.51
CYP1B1 Q16678 1/20 0.51
MAOA P21397 1/20 0.50
NPC1 O15118 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
SCHEMBL9115677 0.89 CAPN1 (0.50) TNFRSF1AABCG2GABRA3GABRA2GABRB2
SCHEMBL9113870 0.88 TNFRSF1A (0.61) TNFRSF1AABCG2GABRA3GABRA2GABRB2
SCHEMBL9113865 0.88 TNFRSF1A (0.61) TNFRSF1AABCG2GABRA3GABRA2GABRB2
SCHEMBL9112516 0.88 TNFRSF1A (0.67) TNFRSF1AABCG2GABRA3GABRA2GABRB2
SCHEMBL9113296 0.88 MAOB (0.53) ABCG2MAPTLMNASMN1; SMN2KDM4E
SCHEMBL9111792 0.86 DPP4 (0.54) ABCG2MAOBDPP4PTPN1CYP1A1
SCHEMBL7179843 0.85 TNFRSF1A (0.71) TNFRSF1AABCG2GABRA3GABRA2GABRB2
SCHEMBL7179848 0.85 TNFRSF1A (0.71) TNFRSF1AABCG2GABRA3GABRA2GABRB2
SCHEMBL7802397 0.85 ABCG2 (0.69) TNFRSF1AABCG2GABRA3GABRA2GABRB2
SCHEMBL7802395 0.85 ABCG2 (0.69) TNFRSF1AABCG2GABRA3GABRA2GABRB2

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