SCHEMBL29131406

SCHEMBL29131406

CCCCCCCCCCCCCCN1C=CN(CC(=O)O)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 11/20 0.39
PPARG P37231 7/20 0.39
PPARD Q03181 7/20 0.39
PPARA Q07869 7/20 0.39
HDAC11 Q96DB2 5/20 0.39
TSHR P16473 4/20 0.39
PTPN1 P18031 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TLR2 O60603 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
FABP4 P15090 2/20 0.39
KMT2A Q03164 2/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
MEN1 O00255 1/20 0.39
ESR1 P03372 1/20 0.39
ALOX15 P16050 1/20 0.39
PDE4A P27815 1/20 0.39
PDE3A Q14432 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL29625812 1.00 GPR84 (0.39) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL28100965 1.00 GPR84 (0.39) GPR84PPARGPPARDPPARAHDAC11
Hydrochloric Acid SCHEMBL29131379 0.98 GPR84 (0.38) GPR84PPARGPPARDPPARAHDAC11
Bromide SCHEMBL31361460 0.98 GPR84 (0.38) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL27839877 0.93 KDM4E (0.39) GPR84PPARGPPARDPPARAHDAC11
Nitric Acid SCHEMBL27919851 0.91 PPARG (0.34) GPR84PPARGPPARDPPARAHDAC11
Bicarbonate SCHEMBL29180172 0.89 GPR84 (0.40) GPR84PPARGPPARDPPARAHDAC11
Acetic Acid SCHEMBL28640717 0.87 GUSB (0.39) GPR84PPARGPPARDPPARAHDAC11
Trifluoromethanesulfonic Acid SCHEMBL28100964 0.87 EPHX1 (0.35) GPR84TSHRALDH1A1KMT2ASLC22A6
SCHEMBL28801345 0.85 KDM4E (0.31)

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
CN-117306009-A Antibacterial antistatic high-strength superfine fiber material and preparation method and application thereof 河南省驼人医疗科技有限公司 2023-12-29 CN claimed
CN-117306009-A Antibacterial antistatic high-strength superfine fiber material and preparation method and application thereof 河南省驼人医疗科技有限公司 2023-12-29 CN disclosed