SCHEMBL28949042

SCHEMBL28949042

CCS(=O)(=O)O.O=S(=O)(O)N1CCN(CCO)CC1.OCCN1CCNCC1

nearest known ligand 0.41

Known targets — ChEMBL curated mechanism

FGFR1FGFR2FGFR3FGFR4FLT1FLT4KDRPDGFRAPDGFRB

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CXCR4 P61073 2/20 0.32
CHRM2 P08172 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM5 P08912 2/20 0.31
CHRM3 P20309 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CHRM4 P08173 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
GAA P10253 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL28790654 0.90 POLB (0.38) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL83682 0.90 POLB (0.38) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL6010040 0.89 POLB (0.37) ALDH1A1KDM4EMEN1KMT2AHSD17B10
Hydrochloric Acid SCHEMBL28378505 0.89 SMN1; SMN2 (0.37) ALDH1A1KDM4EMEN1KMT2AHSD17B10
Ammonia Solution, Strong SCHEMBL28018788 0.89 POLB (0.37) ALDH1A1KDM4EMEN1KMT2AHSD17B10
Alcohol SCHEMBL28979374 0.89 POLB (0.37) ALDH1A1KDM4EMEN1KMT2AHSD17B10
Water SCHEMBL27783793 0.87 POLB (0.36) ALDH1A1KDM4EMEN1KMT2AHSD17B10
Potassium Ion SCHEMBL27651535 0.87 POLB (0.36) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL108942 0.86 ALDH1A1 (0.36) ALDH1A1KDM4EMEN1KMT2AHSD17B10
Propane SCHEMBL7890487 0.85 ALDH1A1 (0.49) ALDH1A1KDM4EMEN1KMT2APOLB

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-115666558-A Drug for treatment of fatty liver disease 盐野义制药株式会社 2023-01-31 CN disclosed