SCHEMBL27340963

SCHEMBL27340963

Cn1[13cH]n[13c]([13CH2][13C](=O)O)[13cH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
MTOR P42345 1/20 0.50
HRH4 Q9H3N8 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
TDP1 Q9NUW8 2/20 0.48
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
S1PR1 P21453 1/20 0.37
CPB2 Q96IY4 1/20 0.35
HPGDS O60760 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRB2 P47870 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GABRR1 P24046 1/20 0.35
QPCT Q16769 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL876467 1.00 CYP2C9 (0.50) CYP2C9TSHRCYP2C19MTORHRH4
Hydrochloric Acid SCHEMBL1373085 0.98 TDP1 (0.52) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL12174842 0.84 CYP2C9 (0.50) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL2176873 0.82 CYP2C9 (0.53) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL7842865 0.82 CYP2C9 (0.48) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL25226943 0.81 CYP2C9 (0.39) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL14665172 0.81 CYP2C9 (0.47) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL2629331 0.81 CYP2C9 (0.56) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL12158515 0.79 CYP2C9 (0.46) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL14664160 0.79 CYP2C9 (0.46) CYP2C9TSHRCYP2C19MTORHRH4

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-20240219399-A1 DIFFERENTIAL DIAGNOSIS OF HISTAMINE INTOLERANCE SYNDROME IMMUNDIAGNOSTIK AG (DE) 2024-07-04 US disclosed