SCHEMBL30130877

SCHEMBL30130877

[H]/N=C(\N)NCCC[C@H](N)C(=O)C(N)[C@H](N)C(=O)N(CCCCCCCC/C=C\CCCCCCCC)CCCCCCCCCCCCCCCC

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 13/20 0.39
SLC6A5 Q9Y345 2/20 0.35
DPP7 Q9UHL4 1/20 0.35
MEN1 O00255 1/20 0.34
FAAH O00519 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
SOAT1 P35610 1/20 0.34
KMT2A Q03164 1/20 0.34
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34

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
SCHEMBL3975666 0.93 EPHX2 (0.39) EPHX2SLC6A5DPP7MEN1FAAH
SCHEMBL25364547 0.93 EPHX2 (0.39) EPHX2SLC6A5DPP7MEN1FAAH
SCHEMBL30130875 0.93 EPHX2 (0.39) EPHX2SLC6A5DPP7MEN1FAAH
SCHEMBL3975670 0.93 EPHX2 (0.39) EPHX2SLC6A5DPP7MEN1FAAH
Hydrochloric Acid SCHEMBL403392 0.92 SLC6A5 (0.38) EPHX2SLC6A5DPP7MEN1FAAH
Hydrochloric Acid SCHEMBL20564397 0.92 SLC6A5 (0.38) EPHX2SLC6A5DPP7MEN1FAAH
Hydrochloric Acid SCHEMBL403391 0.92 SLC6A5 (0.38) EPHX2SLC6A5DPP7MEN1FAAH
SCHEMBL20699446 0.86 DPP7 (0.42) DPP7GNAI3GNAO1GNAI1
SCHEMBL18148989 0.86 DPP7 (0.42) DPP7GNAI3GNAO1GNAI1
Hydrochloric Acid SCHEMBL3486209 0.85 DPP7 (0.41) DPP7GNAI3GNAO1GNAI1

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
EP-4103156-A1 LIPID COMPOSITION AND USE THEREOF FOR DELIVERY OF A THERAPEUTICALLY ACTIVE AGENT TO ENDOTHELIUM Pantherna Therapeutics GmbH (DE) 2022-12-21 EP disclosed