SCHEMBL30812349

SCHEMBL30812349

CCCCCCCCCCCCCCCCCCCCCCNC(C)(C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 9/20 0.48
KDM4C Q9H3R0 1/20 0.46
CASP2 P42575 1/20 0.44
PPARG P37231 6/20 0.41
PPARD Q03181 6/20 0.41
PPARA Q07869 6/20 0.41
GPR84 Q9NQS5 5/20 0.41
HDAC11 Q96DB2 5/20 0.41
TSHR P16473 4/20 0.41
ALDH1A1 P00352 2/20 0.41
TLR2 O60603 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
FABP4 P15090 2/20 0.41
PTPN1 P18031 2/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
MEN1 O00255 1/20 0.41
ESR1 P03372 1/20 0.41
ALOX15 P16050 1/20 0.41
PDE4A P27815 1/20 0.41

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
SCHEMBL30255194 1.00 EPHX1 (0.48) EPHX1KDM4CCASP2PPARGPPARD
SCHEMBL29437846 1.00 EPHX1 (0.48) EPHX1KDM4CCASP2PPARGPPARD
SCHEMBL3856282 1.00 EPHX1 (0.48) EPHX1KDM4CCASP2PPARGPPARD
SCHEMBL6889519 1.00 EPHX1 (0.48) EPHX1KDM4CCASP2PPARGPPARD
SCHEMBL3850619 1.00 EPHX1 (0.48) EPHX1KDM4CCASP2PPARGPPARD
Hydrochloric Acid SCHEMBL11673567 0.98 EPHX1 (0.47) EPHX1KDM4CCASP2PPARGPPARD
SCHEMBL3885213 0.98 KDM4C (0.47) EPHX1KDM4CCASP2PPARGPPARD
SCHEMBL28370224 0.91 KDM4C (0.48) EPHX1KDM4CALOX15
Glycinebetaine SCHEMBL4800074 0.84 CPT2 (0.40) EPHX1KDM4C
Glycinebetaine SCHEMBL4799206 0.84 CPT2 (0.40) EPHX1KDM4C

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
CN-115725201-B Cleaning liquid and liquid set for ink jet recording apparatus 京瓷办公信息系统株式会社 2023-12-29 CN disclosed