SCHEMBL9114050

SCHEMBL9114050

CCOc1cc(C=CC(=O)c2ccc(OC)cc2)c(C(C)(C)C)c(OCC)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.61
CYP1A1 P04798 2/20 0.58
CYP1B1 Q16678 2/20 0.58
TNFRSF1A P19438 1/20 0.56
ABCG2 Q9UNQ0 1/20 0.54
DPP4 P27487 2/20 0.53
GABRA3 P34903 1/20 0.53
GABRA2 P47869 1/20 0.53
GABRB2 P47870 1/20 0.53
LMNA P02545 3/20 0.53
MAPT P10636 3/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PTPN1 P18031 2/20 0.50
MAOA P21397 1/20 0.50
F3 P13726 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL9112971 0.94 MAOB (0.56) MAOBCYP1A1CYP1B1ABCG2DPP4
SCHEMBL9113608 0.91 MAOB (0.61) MAOBCYP1A1CYP1B1TNFRSF1AABCG2
SCHEMBL9114791 0.90 MAOB (0.59) MAOBCYP1A1CYP1B1ABCG2DPP4
SCHEMBL9112902 0.89 CYP1A1 (0.59) MAOBCYP1A1CYP1B1TNFRSF1AABCG2
SCHEMBL9115056 0.89 CYP1A1 (0.54) MAOBCYP1A1CYP1B1ABCG2DPP4
SCHEMBL9113931 0.89 DPP4 (0.55) MAOBCYP1A1CYP1B1TNFRSF1AABCG2
SCHEMBL9110872 0.87 PTPN1 (0.52) MAOBCYP1A1CYP1B1ABCG2DPP4
SCHEMBL9113947 0.87 ABCG2 (0.54) MAOBCYP1A1CYP1B1ABCG2DPP4
SCHEMBL9113361 0.87 CYP1A1 (0.54) MAOBCYP1A1CYP1B1ABCG2DPP4
SCHEMBL9113183 0.86 MAOB (0.63) MAOBCYP1A1CYP1B1TNFRSF1AABCG2

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