SCHEMBL6772444

SCHEMBL6772444

COc1ccc(C=O)c(-c2c(-c3ccc(O)cc3)noc2-c2ccc(O)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.47
TYR P14679 1/20 0.47
TRIM33 Q9UPN9 1/20 0.47
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
HSP90AA1 P07900 1/20 0.41
PTGS2 P35354 4/20 0.41
ERN1 O75460 3/20 0.41
PTGS1 P23219 1/20 0.40
PDE3A Q14432 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39

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
SCHEMBL5728511 0.87 ESR1 (0.42) MEN1KMT2ANPC1ERN1ALDH1A1
SCHEMBL6772440 0.83 NPC1 (0.46) MEN1KMT2ANPC1HSP90AA1PTGS2
SCHEMBL5731027 0.79 PTGS2 (0.60) HSP90AA1PTGS2PTGS1PDE3AESR1
SCHEMBL5730530 0.79 PTGS2 (0.60) HSP90AA1PTGS2PTGS1PDE3AESR1
SCHEMBL7662656 0.77 ALDH1A1 (0.33) MEN1KMT2AHSP90AA1ALDH1A1HPGD
SCHEMBL7846866 0.72 ERN1 (0.41) MEN1KMT2APTGS2ERN1ALDH1A1
SCHEMBL5729727 0.72 HSP90AA1 (0.48) MEN1KMT2ANPC1HSP90AA1PTGS1
SCHEMBL5729672 0.71 PTGS2 (0.70) PTGS2PTGS1PDE3A
SCHEMBL7855239 0.70 ALDH1A1 (0.39) MEN1KMT2ANPC1HSP90AA1PTGS2
SCHEMBL5729553 0.69 ESR1 (0.53) MEN1KMT2APTGS2PTGS1ALDH1A1

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
US-6743815-B2 OSTEOPOROSIS; ENDOMETRIOSIS; ALZHEIMER'S DISEASE CHIRON CORPORATION 2004-06-01 US claimed