SCHEMBL9836023

SCHEMBL9836023

CC1(C)CCC(C)(C)c2cc3c(=O)c(O)c(-c4ccc(OC(=O)O)cc4)oc3cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.52
▸ KDM4E B2RXH2 6/20 0.52
▸ CYP3A4 P08684 6/20 0.52
▸ HSD17B10 Q99714 5/20 0.52
▸ TP53 P04637 4/20 0.52
▸ MEN1 O00255 4/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ CASP1 P29466 3/20 0.52
▸ CASP7 P55210 3/20 0.52
▸ HPGD P15428 2/20 0.52
▸ ACHE P22303 4/20 0.49
▸ BACE1 P56817 3/20 0.49
▸ CSNK2A2 P19784 3/20 0.49
▸ CSNK2B P67870 3/20 0.49
▸ CSNK2A1 P68400 3/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.47
▸ ADORA3 P0DMS8 1/20 0.46
▸ CYP2C9 P11712 3/20 0.45
▸ CYP2D6 P10635 2/20 0.45

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
SCHEMBL8551049 0.87 CSNK2A2 (0.52) MAPTKDM4ECYP3A4HSD17B10TP53
SCHEMBL9833244 0.79 MAOB (0.49) MAPTKDM4ECYP3A4HSD17B10TP53
SCHEMBL18287650 0.71 RXRA (0.53) ABCB1
SCHEMBL18287649 0.71 RXRA (0.53) ABCB1
SCHEMBL25233130 0.69 ACHE (0.81) MAPTKDM4ECYP3A4HSD17B10TP53
SCHEMBL4650608 0.69 CSNK2A2 (0.82) MAPTKDM4ECYP3A4HSD17B10TP53
SCHEMBL30807156 0.69 CYP3A4 (1.00) MAPTKDM4ECYP3A4HSD17B10TP53
SCHEMBL4650077 0.69 CYP3A4 (1.00) MAPTKDM4ECYP3A4HSD17B10TP53
SCHEMBL25233304 0.69 KDM4E (0.56) MAPTKDM4ECYP3A4HSD17B10TP53
SCHEMBL25205540 0.68 ACHE (0.66) MAPTKDM4ECYP3A4HSD17B10TP53

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
EP-0237986-B1 FLAVONE CARBOXYLIC ACID DERIVATIVES Shudo, Koichi, Prof. Dr. (JP) 1991-10-02 — — EP claimed
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