SCHEMBL8831006

SCHEMBL8831006

COC(=O)C1(Cc2ccc(C(C)(C)C)cc2)CCC(C)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.39
TACR3 P29371 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
NAAA Q02083 1/20 0.37
NR3C1 P04150 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
CYP3A4 P08684 1/20 0.36
SLC6A2 P23975 2/20 0.36
EPHX2 P34913 2/20 0.36
NR1H4 Q96RI1 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL8830767 0.87 NR1H4 (0.35) NAAANR3C1CYP3A4NR1H4MEN1
SCHEMBL8830753 0.86 TACR1 (0.41) TACR1TACR3NAAANPC1RAB9A
SCHEMBL2033491 0.85 POLB (0.43) TACR1TACR3MEN1KMT2ALMNA
SCHEMBL17483916 0.85 TACR1 (0.40) TACR1TACR3NPC1RAB9ACYP3A4
SCHEMBL17483907 0.85 TACR1 (0.50) TACR1TACR3CYP3A4MEN1KMT2A
SCHEMBL8830783 0.83 TACR1 (0.46) TACR1TACR3NAAACYP3A4SLC6A2
SCHEMBL8830739 0.82 GPR119 (0.42) TACR1TACR3CYP3A4MEN1KMT2A
SCHEMBL8830792 0.78 TACR1 (0.43) TACR1TACR3CA1CA2NAAA
SCHEMBL5348003 0.73 POLB (0.55) CYP3A4MEN1KMT2AL3MBTL1LMNA
SCHEMBL8830938 0.73 KDM4E (0.34) RAB9ASLC6A2MEN1KMT2ALMNA

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-5681979-A Process for the producing of alkylcyclopentanone derivatives KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1997-10-28 US disclosed
EP-0731083-A1 Process for the producing of alkylcyclopentanone derivatives KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1996-09-11 EP disclosed