SCHEMBL10383489

SCHEMBL10383489

N=C(NCC(=O)O)NC1CCCCCCC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.50
▸ EPHX2 P34913 3/20 0.47
▸ EPHX1 P07099 11/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ LMNA P02545 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HTT P42858 1/20 0.42

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
SCHEMBL29941205 0.81 EPHX2 (0.66) ALDH1A1EPHX2EPHX1NPC1RAB9A
SCHEMBL19164718 0.76 EPHX2 (0.40) ALDH1A1EPHX2EPHX1NPC1RAB9A
SCHEMBL2740861 0.75 EPHX1 (0.55) ALDH1A1EPHX2EPHX1NPC1RAB9A
SCHEMBL10144656 0.75 EPHX1 (0.47) ALDH1A1EPHX2EPHX1KDM4EKMT2A
SCHEMBL1421467 0.73 EGLN1 (0.41) ALDH1A1EPHX2EPHX1RAB9ASMN1; SMN2
SCHEMBL1345188 0.73 SMN1; SMN2 (0.43) ALDH1A1EPHX2EPHX1NPC1RAB9A
SCHEMBL14343558 0.73 SMN1; SMN2 (0.50) ALDH1A1EPHX2EPHX1NPC1RAB9A
SCHEMBL14343076 0.73 SMN1; SMN2 (0.50) ALDH1A1EPHX2EPHX1NPC1RAB9A
SCHEMBL3915783 0.72 EPHX1 (0.50) ALDH1A1EPHX2EPHX1NPC1RAB9A
SCHEMBL122347 0.71 ALDH1A1 (0.50) ALDH1A1EPHX2EPHX1NPC1RAB9A

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-4900740-A ARTIFICIAL SWEETENERS THE NUTRASWEET COMPANY (US) 1990-02-13 — — US disclosed
Send feedback