SCHEMBL8993113

SCHEMBL8993113

COc1cccc(C(C)c2ccc(CO)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASR P41180 3/20 0.51
AOC3 Q16853 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
TAAR1 Q96RJ0 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
ABCB11 O95342 1/20 0.43

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
SCHEMBL8993170 0.84 CASR (0.51) CASRAOC3L3MBTL1TAAR1MEN1
SCHEMBL10290007 0.83 CASR (0.53) CASRAOC3L3MBTL1TAAR1
SCHEMBL10707052 0.81 CASR (0.57) CASRAOC3L3MBTL1TAAR1
SCHEMBL8993157 0.81 CASR (0.48) CASRAOC3L3MBTL1TAAR1MEN1
SCHEMBL23621916 0.79 CASR (0.52) CASRTAAR1MEN1KMT2A
SCHEMBL28310868 0.78 AOC3 (0.45) CASRAOC3L3MBTL1KMT2ALMNA
SCHEMBL8750551 0.77 TSHR (0.54) TAAR1LMNA
SCHEMBL7544326 0.77 ESR1 (0.52) LMNA
SCHEMBL8993107 0.76 NPC1 (0.55) AOC3L3MBTL1MEN1KMT2ALMNA
SCHEMBL28209856 0.76 PARP1 (0.59) AOC3L3MBTL1

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
US-5516777-A PROSTATE CANCER THERAPY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-05-14 US disclosed
US-5409928-A Prostate diseases, alopecia OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-04-25 US disclosed
EP-0594149-A2 Condensed pyrazole derivatives, method of manufacturing the same, and androgen inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-04-27 EP disclosed