SCHEMBL7701611

SCHEMBL7701611

COC(=O)c1c(C)n(Cc2ccccc2)c2ccc(O)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 1.00
PKM P14618 5/20 1.00
GAA P10253 4/20 1.00
ALDH1A1 P00352 3/20 1.00
LMNA P02545 6/20 0.82
KDM4E B2RXH2 3/20 0.82
MEN1 O00255 3/20 0.73
KMT2A Q03164 3/20 0.73
HSD17B10 Q99714 4/20 0.66
ALOX15 P16050 3/20 0.66
MAPK1 P28482 3/20 0.66
TSHR P16473 3/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
HTT P42858 1/20 0.66
PLA2G2A P14555 4/20 0.65
HPGD P15428 3/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 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
SCHEMBL803358 0.90 MAPT (1.00) MAPTPKMGAAALDH1A1LMNA
SCHEMBL290852 0.88 GAA (0.79) MAPTPKMGAAALDH1A1LMNA
SCHEMBL7699327 0.88 ALDH1A1 (0.78) MAPTPKMGAAALDH1A1LMNA
SCHEMBL16344540 0.87 GAA (0.77) MAPTPKMGAAALDH1A1LMNA
SCHEMBL14880137 0.85 MAPT (0.74) MAPTPKMGAAALDH1A1LMNA
SCHEMBL7961660 0.84 PLA2G2A (0.75) MAPTPKMGAAALDH1A1LMNA
SCHEMBL336671 0.84 MAPT (0.73) MAPTPKMGAAALDH1A1LMNA
SCHEMBL16027079 0.82 MAPT (0.70) MAPTPKMGAAALDH1A1LMNA
SCHEMBL805691 0.81 MAPT (0.69) MAPTPKMGAAALDH1A1LMNA
SCHEMBL5437216 0.81 PLA2G2A (0.82) MAPTPKMGAAALDH1A1LMNA

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-2002020478-A1 N-BENZYLINDOLE-3-ACETIC ACID DERIVATIVES FOR USE IN THE TREATMENT OF DRUG RESISTAN CANCER DUBLIN CITY UNIVERSITY (IE) 2002-03-14 WO disclosed