SCHEMBL16595141

SCHEMBL16595141

C=C[C@H](O)NC(CC)CC

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.32
CNR1 P21554 1/20 0.32
ADRA1A P35348 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ABCC3 O15438 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL16595170 0.87 TAS1R3 (0.37) LMNA
SCHEMBL16595155 0.78
SCHEMBL10549529 0.76
SCHEMBL6696607 0.74
SCHEMBL724588 0.74
SCHEMBL11466995 0.72 TGFBR1 (0.32) KDM4ESMN1; SMN2
SCHEMBL276412 0.67 LMNA (0.40) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL5698964 0.67 LMNA (0.38) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL1199681 0.67
SCHEMBL4058497 0.66

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
WO-2015039612-A1 COMPOUND INHIBITING KINASE ACTIVITIES OF BTK AND/OR JAK3 北京韩美药品有限公司 2015-03-26 WO disclosed