SCHEMBL4785319

SCHEMBL4785319

NCCCCCCCCCC(N)C1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.43
EPHX1 P07099 1/20 0.38
DPP4 P27487 3/20 0.37
DPP7 Q9UHL4 2/20 0.36
DPP8 Q6V1X1 1/20 0.36
TP53 P04637 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA3 P07451 2/20 0.35
CA4 P22748 2/20 0.35
CA6 P23280 2/20 0.35
CA5A P35218 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CA5B Q9Y2D0 2/20 0.35
DNM1 Q05193 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 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
SCHEMBL8642196 0.98 SIGMAR1 (0.47) SIGMAR1EPHX1DPP4DPP7DPP8
SCHEMBL8966754 0.91 EPHX1 (0.41) SIGMAR1EPHX1DPP4DPP7DPP8
SCHEMBL11132748 0.91 SIGMAR1 (0.39) SIGMAR1EPHX1DPP4TP53LMNA
SCHEMBL4243546 0.89 EPHX1 (0.44) SIGMAR1EPHX1DPP4TP53LMNA
SCHEMBL11301452 0.89 EPHX1 (0.42) SIGMAR1EPHX1DPP4TP53LMNA
SCHEMBL11434637 0.89 EPHX1 (0.42) SIGMAR1EPHX1DPP4TP53LMNA
SCHEMBL10866419 0.89 EPHX1 (0.42) SIGMAR1EPHX1DPP4TP53LMNA
SCHEMBL25562386 0.89 GSR (0.38) SIGMAR1DPP4DPP7DPP8CA12
SCHEMBL19988099 0.86 EPHX1 (0.36) SIGMAR1EPHX1DPP4TP53LMNA
SCHEMBL3834490 0.86 EPHX1 (0.44) SIGMAR1EPHX1DPP4TP53LMNA

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-2008089010-A1 PREPARATION OF SECONDARY DIAMINES ALBEMARLE CORPORATION (US) 2008-07-24 WO disclosed