SCHEMBL28635181

SCHEMBL28635181

O=C(O)/C=C/C(=O)OCCC(O)CO

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 13/20 0.53
ATM Q13315 1/20 0.38
TSHR P16473 3/20 0.33
THRB P10828 1/20 0.33
TP53 P04637 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
EGLN3 Q9H6Z9 1/20 0.33
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL28643991 0.92 ATM (0.43) HCAR2ATMTSHRTHRBTP53
SCHEMBL28635178 0.92 ATM (0.43) HCAR2ATMTSHRTHRBTP53
SCHEMBL25422020 0.82 HCAR2 (0.59) HCAR2ATMTSHRTP53EGLN1
SCHEMBL8661909 0.82 HCAR2 (0.59) HCAR2ATMTSHRTP53EGLN1
SCHEMBL27550205 0.82 HCAR2 (0.59) HCAR2ATMTSHRTP53EGLN1
SCHEMBL8661906 0.81 HCAR2 (0.50) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL4439683 0.81 HCAR2 (0.50) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL8940099 0.81 HCAR2 (0.50) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL10837369 0.80 HCAR2 (0.67) HCAR2ATMTSHRMAPTRAB9A
SCHEMBL2812266 0.79 HCAR2 (0.60) HCAR2ATMTSHRTP53EGLN1

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-113490489-A Monomethyl fumarate-carrier conjugates and methods of use thereof 旗舰创业创新五公司 2021-10-08 CN disclosed