SCHEMBL2498879

SCHEMBL2498879

COC(=O)C=C(C)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.67
NR4A2 P43354 2/20 0.62
SMPD1 P17405 3/20 0.60
PTPN1 P18031 1/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
SRD5A2 P31213 1/20 0.55
NR1H4 Q96RI1 1/20 0.53
MAOA P21397 2/20 0.52
MRGPRX4 Q96LA9 1/20 0.52
GPR132 Q9UNW8 1/20 0.52

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
SCHEMBL2498872 1.00 MAOB (0.67) MAOBNR4A2SMPD1PTPN1MEN1
SCHEMBL3658115 0.88 MAOB (0.72) MAOBNR4A2SMPD1PTPN1MEN1
SCHEMBL3658118 0.88 MAOB (0.72) MAOBNR4A2SMPD1PTPN1MEN1
SCHEMBL3658111 0.88 MAOB (0.72) MAOBNR4A2SMPD1PTPN1MEN1
SCHEMBL11158616 0.88 MAOB (0.64) MAOBNR4A2SMPD1PTPN1MEN1
SCHEMBL11158605 0.88 MAOB (0.64) MAOBNR4A2SMPD1PTPN1MEN1
SCHEMBL14021555 0.88 MAOB (0.64) MAOBNR4A2SMPD1PTPN1MEN1
SCHEMBL2495358 0.84 MAOB (0.59) MAOBNR4A2SMPD1PTPN1MEN1
SCHEMBL2495360 0.84 MAOB (0.59) MAOBNR4A2SMPD1PTPN1MEN1
SCHEMBL12194365 0.84 MAOB (0.59) MAOBNR4A2SMPD1PTPN1MEN1

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-8030354-B2 2-(5,5-Dimethylcyclopent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; metabolic disorders such as type II diabetes AMGEN INC. (US) 2011-10-04 US disclosed