SCHEMBL28631998

SCHEMBL28631998

O=CN1CCCC[C@H]1CO

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TYMP P19971 2/20 0.36
TDP1 Q9NUW8 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
CUL4A Q13619 1/20 0.32
EPHX2 P34913 1/20 0.31
TERT O14746 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL4778290 1.00 POLB (0.44) POLBL3MBTL1MEN1KMT2ATYMP
SCHEMBL1302925 0.94
SCHEMBL1712699 0.94
SCHEMBL6205356 0.94
SCHEMBL30816700 0.85
SCHEMBL13632372 0.84 ALDH1A1 (0.38) POLBL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL15904356 0.80 FFAR1 (0.37) POLBL3MBTL1MEN1KMT2A
SCHEMBL31022708 0.79 KMT2A (0.41) MEN1KMT2AALDH1A1RAB9A
SCHEMBL4158148 0.79 KMT2A (0.41) MEN1KMT2AALDH1A1RAB9A
SCHEMBL1630185 0.79 MEN1 (0.38) MEN1KMT2A

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
EP-3860975-B1 MODULATORS OF HEMOGLOBIN FOR THE TREATMENT OF SICKLE CELL DISEASE GLOBAL BLOOD THERAPEUTICS INC (US) 2023-10-18 EP disclosed
CN-113316568-A 2-formyl-3-hydroxyphenyloxymethyl compounds capable of modulating hemoglobin 全球血液疗法股份有限公司 2021-08-27 CN disclosed