SCHEMBL4059660

SCHEMBL4059660

CC(C)(C)C(=O)Oc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.70
ABCB1 P08183 4/20 0.70
CYP3A4 P08684 3/20 0.70
CYP2C9 P11712 2/20 0.70
CYP2C19 P33261 2/20 0.70
ABCG2 Q9UNQ0 2/20 0.70
NPC1 O15118 1/20 0.70
TSHR P16473 1/20 0.70
EGFR P00533 1/20 0.65
RET P07949 1/20 0.65
KDR P35968 1/20 0.65
LMNA P02545 1/20 0.65
CYP1A1 P04798 3/20 0.64
CYP1A2 P05177 3/20 0.64
CYP19A1 P11511 2/20 0.64
MAOB P27338 2/20 0.64
MEN1 O00255 2/20 0.64
ALDH1A1 P00352 2/20 0.64
KMT2A Q03164 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64

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
SCHEMBL21224157 0.86 MAPT (0.74) MAPTABCB1CYP3A4CYP2C9CYP2C19
SCHEMBL29494596 0.86 MAPT (0.74) MAPTABCB1CYP3A4CYP2C9CYP2C19
SCHEMBL7063538 0.86 MAPT (0.74) MAPTABCB1CYP3A4CYP2C9CYP2C19
SCHEMBL24913523 0.83 ABCB1 (0.70) MAPTABCB1CYP3A4CYP2C9CYP2C19
SCHEMBL12941004 0.83 NPSR1 (0.69) MAPTABCB1CYP3A4CYP2C9CYP2C19
Techtochrysin SCHEMBL249043 0.82 MAPT (1.00) MAPTABCB1CYP3A4CYP2C9CYP2C19
Techtochrysin SCHEMBL29494561 0.82 MAPT (1.00) MAPTABCB1CYP3A4CYP2C9CYP2C19
SCHEMBL28922626 0.81 EGFR (0.69) MAPTABCB1CYP3A4CYP2C9CYP2C19
SCHEMBL2904356 0.81 MAPT (0.69) MAPTABCB1CYP3A4CYP2C9CYP2C19
SCHEMBL22729259 0.80 MAPT (0.81) MAPTABCB1CYP3A4CYP2C9CYP2C19

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-2009110008-A1 ANTI-ULCER ACTIVITY OF FLAVONE ANALOGS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2009-09-11 WO disclosed