SCHEMBL9114791

SCHEMBL9114791

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

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.59
ABCG2 Q9UNQ0 3/20 0.59
CYP1A1 P04798 2/20 0.51
CYP1B1 Q16678 2/20 0.51
DPP4 P27487 2/20 0.49
LMNA P02545 2/20 0.48
POLB P06746 1/20 0.48
MAOA P21397 1/20 0.48
CAPN1 P07384 1/20 0.48
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAPT P10636 1/20 0.47
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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 0.93 MAOB (0.56) MAOBABCG2CYP1A1CYP1B1DPP4
SCHEMBL9114050 0.90 MAOB (0.61) MAOBABCG2CYP1A1CYP1B1DPP4
SCHEMBL9113109 0.89 ABCG2 (0.61) MAOBABCG2CYP1A1CYP1B1DPP4
SCHEMBL9112441 0.88 ABCG2 (0.63) MAOBABCG2CYP1A1CYP1B1DPP4
SCHEMBL9115056 0.88 CYP1A1 (0.54) MAOBABCG2CYP1A1CYP1B1DPP4
SCHEMBL9110872 0.86 PTPN1 (0.52) MAOBABCG2CYP1A1CYP1B1DPP4
SCHEMBL9113361 0.86 CYP1A1 (0.54) MAOBABCG2CYP1A1CYP1B1DPP4
SCHEMBL9113947 0.86 ABCG2 (0.54) MAOBABCG2CYP1A1CYP1B1DPP4
SCHEMBL9110695 0.85 MAOB (0.60) MAOBABCG2CYP1A1CYP1B1DPP4
SCHEMBL9112491 0.83 MAOB (0.64) MAOBABCG2CYP1A1CYP1B1LMNA

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