SCHEMBL9113608

SCHEMBL9113608

CCOc1ccc(C(=O)C=Cc2cc(OC)cc(OC)c2C(C)(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.61
CYP1A1 P04798 2/20 0.61
CYP1B1 Q16678 2/20 0.61
DPP4 P27487 2/20 0.59
LMNA P02545 4/20 0.58
MAPT P10636 4/20 0.58
KDM4E B2RXH2 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
ALDH1A1 P00352 1/20 0.58
ABCG2 Q9UNQ0 3/20 0.57
TNFRSF1A P19438 1/20 0.56
PTPN1 P18031 1/20 0.55
MAOA P21397 1/20 0.53
HPGD P15428 1/20 0.52
ATM Q13315 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL9114076 0.91 CYP1A1 (0.62) MAOBCYP1A1CYP1B1DPP4LMNA
SCHEMBL9114050 0.91 MAOB (0.61) MAOBCYP1A1CYP1B1DPP4LMNA
SCHEMBL9112516 0.91 TNFRSF1A (0.67) MAOBCYP1A1CYP1B1DPP4LMNA
SCHEMBL9112971 0.90 MAOB (0.56) MAOBCYP1A1CYP1B1DPP4LMNA
SCHEMBL9115627 0.88 PTPN1 (0.60) CYP1A1CYP1B1LMNAMAPTKDM4E
SCHEMBL9114174 0.86 DPP4 (0.64) MAOBCYP1A1CYP1B1DPP4LMNA
SCHEMBL9114169 0.86 DPP4 (0.64) MAOBCYP1A1CYP1B1DPP4LMNA
SCHEMBL9113123 0.86 CTSL (0.61) MAOBDPP4MAPTALDH1A1ABCG2
SCHEMBL9113296 0.86 MAOB (0.53) MAOBCYP1A1CYP1B1DPP4LMNA
SCHEMBL9113734 0.85 MAPT (0.76) MAOBCYP1A1CYP1B1DPP4LMNA

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