SCHEMBL18656239

SCHEMBL18656239

C=C(C)C(=O)OCC(=O)NCC

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.46
TSHR P16473 3/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
FAAH O00519 2/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 2/20 0.37
HPGD P15428 1/20 0.37
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MCL1 Q07820 1/20 0.36

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
SCHEMBL770229 0.81 THRB (0.52) THRBTSHRKDM4EALDH1A1FAAH
SCHEMBL12472336 0.79 FAAH (0.60) KDM4EALDH1A1FAAHPKMMAPK1
SCHEMBL2853009 0.77 TSHR (0.42) THRBTSHRALDH1A1FAAHRAB9A
SCHEMBL27360291 0.75 TSHR (0.41) THRBTSHRALDH1A1FAAHLMNA
SCHEMBL2612452 0.75 TSHR (0.62) THRBTSHRFAAHHPGD
SCHEMBL10060088 0.75 THRB (0.50) THRBTSHRALDH1A1FAAHLMNA
SCHEMBL11544171 0.74 THRB (0.44) THRBTSHRALDH1A1SMN1; SMN2
SCHEMBL890339 0.74 THRB (0.58) THRBTSHRALDH1A1
SCHEMBL16573572 0.74 THRB (0.43) THRBTSHRKDM4EALDH1A1FAAH
SCHEMBL28070042 0.73 TSHR (0.50) THRBTSHRALDH1A1LMNA

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-20170081450-A1 POLYMER PARTICLES MICROVENTION, INC. 2017-03-23 US disclosed