SCHEMBL9112491

SCHEMBL9112491

CCOc1cc(C=CC(=O)c2ccc(O)cc2)cc(OCC)c1C(C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.64
ABCG2 Q9UNQ0 3/20 0.64
LMNA P02545 3/20 0.60
POLB P06746 2/20 0.60
CYP1A1 P04798 3/20 0.56
CYP1A2 P05177 3/20 0.56
CYP2D6 P10635 3/20 0.56
CYP1B1 Q16678 3/20 0.56
MAPT P10636 6/20 0.55
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
F3 P13726 2/20 0.54
MAOA P21397 2/20 0.52
RAB9A P51151 3/20 0.52
NPC1 O15118 1/20 0.52
PDE4A P27815 1/20 0.52
PDE4B Q07343 1/20 0.52
PDE4C Q08493 1/20 0.52
PDE4D Q08499 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
SCHEMBL9113404 0.90 ABCG2 (0.66) MAOBABCG2LMNAPOLBCYP1A1
SCHEMBL9113392 0.90 MAPT (0.68) MAOBABCG2LMNAPOLBCYP1A1
SCHEMBL9114071 0.89 ABCG2 (0.68) MAOBABCG2LMNAPOLBCYP1A1
SCHEMBL9112514 0.88 MAOB (0.69) MAOBABCG2LMNACYP1A1CYP1A2
SCHEMBL9112114 0.86 ABCG2 (0.63) MAOBABCG2LMNAPOLBCYP1A1
SCHEMBL9114582 0.86 ABCG2 (0.65) MAOBABCG2LMNAPOLBCYP1A1
SCHEMBL9112835 0.86 MAPT (0.62) MAOBABCG2LMNAMAPTALDH1A1
SCHEMBL9112254 0.86 ABCG2 (0.65) MAOBABCG2LMNAPOLBCYP1A1
SCHEMBL9110801 0.85 F3 (0.56) MAOBABCG2LMNAPOLBCYP1A1
SCHEMBL9111571 0.84 MAPT (0.57) MAOBABCG2LMNAPOLBCYP1A1

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