SCHEMBL6785391

SCHEMBL6785391

COc1ccccc1C(Sc1ccc(O)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
KMT2A Q03164 1/20 0.44
LMNA P02545 5/20 0.43
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 3/20 0.43
HTT P42858 2/20 0.43
POLB P06746 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MAOB P27338 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
CAPN1 P07384 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 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
SCHEMBL11398658 0.80 MAPT (0.45) MAPTTDP1KMT2ALMNAALDH1A1
SCHEMBL6661896 0.78 ALOX5 (0.46) PPARG
SCHEMBL6787275 0.77 ADAM17 (0.62) MAPTTDP1LMNAALDH1A1NPSR1
SCHEMBL6785712 0.76 ADAM17 (0.48) MAPTKMT2ALMNAALDH1A1NPSR1
SCHEMBL6934273 0.72 MAPT (0.55) MAPTTDP1KMT2ALMNAALDH1A1
SCHEMBL11481231 0.72 TDP1 (0.62) MAPTTDP1KMT2ALMNAALDH1A1
SCHEMBL4628923 0.71 KMT2A (0.56) KMT2ALMNAALDH1A1NPSR1HTT
SCHEMBL6658202 0.70 MEN1 (0.40) KMT2ALMNAHTTSMN1; SMN2
SCHEMBL503436 0.70 KMT2A (0.55) KMT2ALMNANPSR1HTTPOLB
SCHEMBL7885098 0.70 PTGS2 (0.64) KMT2AALDH1A1NPSR1HTTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6825354-B2 OSTEOPOROSIS; RHEUMATIC DISEASES WYETH HOLDINGS CORPORATION 2004-11-30 US disclosed
US-6340691-B1 TREATMENT OF ARTHRITIS, TUMOR METASTASIS, TISSUE ULCERATION, ABNORMAL WOUND HEALING, PERIODONTAL DISEASE, BONE DISEASE, DIABETES (INSULIN RESISTANCE) AND HIV INFECTION AMERICAN CYANAMID COMPANY 2002-01-22 US disclosed