SCHEMBL28936367

SCHEMBL28936367

Cc1cccc(C(=O)NC(C(=O)O)(c2ccccc2)C(CC(=O)O)c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
GPR139 Q6DWJ6 1/20 0.46
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
KCNK3 O14649 3/20 0.42
KCNK9 Q9NPC2 3/20 0.42
POLB P06746 2/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MAPT P10636 4/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
FFAR1 O14842 1/20 0.41
TP53 P04637 1/20 0.41
GLA P06280 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
ALDH1A1 P00352 3/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL28708573 0.88 LMNA (0.43) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL28699449 0.88 EPHX2 (0.40) SMN1; SMN2GPR139NPC1RAB9APOLB
SCHEMBL28710492 0.87 LMNA (0.43) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL28708516 0.87 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL28714848 0.86 LMNA (0.45) SMN1; SMN2GPR139NPC1RAB9AMEN1
SCHEMBL29120862 0.86 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL28711974 0.81 GAA (0.46) SMN1; SMN2NPC1RAB9AKCNK9ALDH1A1
SCHEMBL28718835 0.81 KDM4E (0.44) GPR139MEN1KMT2AGAAL3MBTL1
SCHEMBL28705692 0.81 NPC1 (0.43) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL28714867 0.80 NPC1 (0.45) NPC1RAB9AMEN1KMT2AALDH1A1

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
CN-113444005-B Method for synthesizing novel glutaric acid compound from diaryl substituted non-activated olefin 四川大学 2023-03-03 CN disclosed
CN-113444005-A Method for synthesizing novel glutaric acid compound from diaryl substituted non-activated olefin 四川大学 2021-09-28 CN disclosed