SCHEMBL9725774

SCHEMBL9725774

NC(OCc1ccccc1)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 6/20 0.68
SLC1A3 P43003 5/20 0.68
SLC1A2 P43004 5/20 0.68
KMT2A Q03164 2/20 0.68
CYP1A2 P05177 2/20 0.68
MEN1 O00255 1/20 0.68
CYP2D6 P10635 1/20 0.68
CYP2C9 P11712 1/20 0.68
CYP2C19 P33261 1/20 0.68
ALPI P09923 1/20 0.53
PKM P14618 1/20 0.53
PTGS1 P23219 1/20 0.53
XIAP P98170 1/20 0.53
SLC7A5 Q01650 1/20 0.53
SRR Q9GZT4 2/20 0.48
ALDH1A1 P00352 3/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL18925992 1.00 SLC1A1 (0.68) SLC1A1SLC1A3SLC1A2KMT2ACYP1A2
SCHEMBL18925989 0.88 SLC1A1 (0.59) SLC1A1SLC1A3SLC1A2KMT2ACYP1A2
SCHEMBL27549677 0.82 SLC1A3 (0.51) SLC1A1SLC1A3SLC1A2KMT2ACYP1A2
SCHEMBL7106222 0.81 SLC1A2 (1.00) SLC1A1SLC1A3SLC1A2KMT2ACYP1A2
SCHEMBL2819524 0.81 SLC1A2 (1.00) SLC1A1SLC1A3SLC1A2KMT2ACYP1A2
SCHEMBL8777361 0.81 SLC1A1 (0.70) SLC1A1SLC1A3SLC1A2KMT2ACYP1A2
SCHEMBL8777370 0.81 SLC1A1 (0.70) SLC1A1SLC1A3SLC1A2KMT2ACYP1A2
SCHEMBL7106220 0.81 SLC1A2 (1.00) SLC1A1SLC1A3SLC1A2KMT2ACYP1A2
SCHEMBL2819522 0.81 SLC1A2 (1.00) SLC1A1SLC1A3SLC1A2KMT2ACYP1A2
SCHEMBL8553178 0.81 SLC1A1 (0.59) SLC1A1SLC1A3SLC1A2KMT2ACYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11365216-B2 Antiviral immunotropic agent for the treatment of acute respiratory viral infections PVP LABS PTE. LTD. (SG) 2022-06-21 US disclosed
US-5106835-A Hypotensive agents AMERICAN CYANAMID COMPANY (US) 1992-04-21 US disclosed