SCHEMBL3737458

SCHEMBL3737458

C[C@]12C=CC(=O)C=C1C=CC1C2C=C[C@@]2(C)C1CC[C@@]2(O)CCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 10/20 0.44
▸ CYP17A1 P05093 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TDP1 Q9NUW8 2/20 0.41
▸ NR3C1 P04150 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ PGR P06401 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ MAPT P10636 1/20 0.33
▸ GUSB P08236 1/20 0.32

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
SCHEMBL10946077 1.00 CYP19A1 (0.44) CYP19A1CYP17A1MEN1KMT2ATDP1
SCHEMBL10886101 1.00 CYP19A1 (0.44) CYP19A1CYP17A1MEN1KMT2ATDP1
Potassium Ion SCHEMBL10886690 0.90 TDP1 (0.52) CYP19A1CYP17A1MEN1KMT2ATDP1
Potassium Ion SCHEMBL10886695 0.90 TDP1 (0.52) CYP19A1CYP17A1MEN1KMT2ATDP1
SCHEMBL10884295 0.90 TDP1 (0.50) CYP19A1CYP17A1MEN1KMT2ATDP1
Potassium Ion SCHEMBL10943952 0.90 TDP1 (0.52) CYP19A1CYP17A1MEN1KMT2ATDP1
SCHEMBL6707070 0.82 PGR (0.57) CYP19A1MEN1KMT2ATDP1NR3C1
SCHEMBL6707066 0.82 PGR (0.57) CYP19A1MEN1KMT2ATDP1NR3C1
SCHEMBL10885331 0.79 LMNA (0.47) CYP19A1MEN1KMT2ATDP1NR3C1
SCHEMBL10885323 0.79 LMNA (0.47) CYP19A1MEN1KMT2ATDP1NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023639-A1 Methods of Treatment IMPERIAL INNOVATIONS LIMITED (GB) 2009-01-22 — — US claimed
US-7417038-B1 Methods of treating cachexia IMPERIAL INNOVATIONS LIMITED (GB) 2008-08-26 — — US claimed
US-7829596-B2 Methods of treatment IMPERIAL INNOVATIONS LIMITED (GB) 2010-11-09 — — US disclosed
US-20090023639-A1 Methods of Treatment IMPERIAL INNOVATIONS LIMITED (GB) 2009-01-22 — — US disclosed
US-7417038-B1 Methods of treating cachexia IMPERIAL INNOVATIONS LIMITED (GB) 2008-08-26 — — US disclosed
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