SCHEMBL6983069

SCHEMBL6983069

CC(C)(C)[Si](C)(C)Oc1cccc2[nH]cc(CC(=O)O)c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.56
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
MAPT P10636 2/20 0.56
POLB P06746 1/20 0.56
THRB P10828 1/20 0.56
DNMT1 P26358 1/20 0.56
RECQL P46063 1/20 0.56
CASP6 P55212 1/20 0.56
MCL1 Q07820 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ADRB2 P07550 1/20 0.48
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
NPSR1 Q6W5P4 3/20 0.42
HTR2A P28223 4/20 0.41
HTR1A P08908 1/20 0.40

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
SCHEMBL15324144 0.82 MTNR1A (0.52) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL6770793 0.81 KDM4E (0.64) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL26307482 0.80 HTR2A (0.55) ALDH1A1KDM4EMEN1KMT2AADRB2
SCHEMBL25074718 0.78 HTR6 (0.68) HTR2AHTR1AHTR2CHTR2BHTR6
SCHEMBL30928245 0.78 HTR6 (0.68) HTR2AHTR1AHTR2CHTR2BHTR6
SCHEMBL24723796 0.77 HTR2A (0.38) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL24043692 0.74 KMT2A (0.58) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL7360256 0.74 HTR2A (0.62) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL3562093 0.74 ALDH1A1 (0.69) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL6287959 0.74 ALDH1A1 (0.69) GAAALDH1A1KDM4EMEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0839806-B1 Substituted tricyclics LILLY CO ELI (US) 2003-07-09 EP disclosed
WO-1998018464-A1 SUBSTITUTED TRICYCLICS ELI LILLY AND COMPANY (US) 1998-05-07 WO disclosed
EP-0839806-A1 Substituted tricyclics ELI LILLY AND COMPANY (US) 1998-05-06 EP disclosed