SCHEMBL9112009

SCHEMBL9112009

CCCc1c(C=CC(=O)c2ccc(OC)cc2)cc(OCC)cc1OCC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.58
TNFRSF1A P19438 1/20 0.56
CYP1A1 P04798 2/20 0.55
CYP1B1 Q16678 2/20 0.55
ABCG2 Q9UNQ0 1/20 0.54
DPP4 P27487 3/20 0.53
GABRA3 P34903 1/20 0.53
GABRA2 P47869 1/20 0.53
GABRB2 P47870 1/20 0.53
MAPT P10636 5/20 0.53
LMNA P02545 4/20 0.53
KDM4E B2RXH2 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 2/20 0.53
PTPN1 P18031 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
HPGD P15428 1/20 0.49
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 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
SCHEMBL9112006 1.00 MAOB (0.58) MAOBTNFRSF1ACYP1A1CYP1B1ABCG2
SCHEMBL9115520 0.94 DPP4 (0.54) MAOBCYP1A1CYP1B1ABCG2DPP4
SCHEMBL9112998 0.91 DPP4 (0.59) MAOBTNFRSF1ACYP1A1CYP1B1ABCG2
SCHEMBL9112991 0.91 DPP4 (0.59) MAOBTNFRSF1ACYP1A1CYP1B1ABCG2
SCHEMBL9114526 0.90 DPP4 (0.53) MAOBCYP1A1CYP1B1ABCG2DPP4
SCHEMBL9112484 0.90 CYP1A1 (0.58) MAOBTNFRSF1ACYP1A1CYP1B1ABCG2
SCHEMBL9114672 0.90 DPP4 (0.56) MAOBTNFRSF1ACYP1A1CYP1B1ABCG2
SCHEMBL9112781 0.90 ABCG2 (0.56) MAOBCYP1A1CYP1B1ABCG2DPP4
SCHEMBL9112775 0.90 ABCG2 (0.56) MAOBCYP1A1CYP1B1ABCG2DPP4
SCHEMBL9111913 0.89 TNFRSF1A (0.64) MAOBTNFRSF1ACYP1A1CYP1B1ABCG2

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