SCHEMBL2498876

SCHEMBL2498876

CC/C(=C/C(=O)O)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.64
NR4A2 P43354 5/20 0.63
SMPD1 P17405 2/20 0.58
SRD5A2 P31213 1/20 0.56
PTPN1 P18031 1/20 0.55
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
PKM P14618 1/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.52
NR4A1 P22736 1/20 0.51
NR4A3 Q92570 1/20 0.51
NR1H4 Q96RI1 1/20 0.51

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
SCHEMBL6539309 0.85 MAOB (0.61) MAOBNR4A2SRD5A2ALDH1A1NR4A1
SCHEMBL3658115 0.84 MAOB (0.72) MAOBNR4A2SMPD1SRD5A2PTPN1
SCHEMBL3658118 0.84 MAOB (0.72) MAOBNR4A2SMPD1SRD5A2PTPN1
SCHEMBL3658111 0.84 MAOB (0.72) MAOBNR4A2SMPD1SRD5A2PTPN1
SCHEMBL2152475 0.82 MAOB (0.73) MAOBNR4A2SMPD1SRD5A2PTPN1
SCHEMBL68983 0.79 MAOB (1.00) MAOBNR4A2SMPD1SRD5A2PTPN1
SCHEMBL7908051 0.78 SRD5A2 (0.85) MAOBNR4A2SMPD1SRD5A2PTPN1
SCHEMBL339009 0.78 NR4A2 (1.00) MAOBNR4A2SMPD1SRD5A2PTPN1
SCHEMBL30207018 0.78 NR4A2 (1.00) MAOBNR4A2SMPD1SRD5A2PTPN1
SCHEMBL2495360 0.78 MAOB (0.59) MAOBNR4A2SMPD1SRD5A2PTPN1

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