SCHEMBL29613583

SCHEMBL29613583

O=C(O)[C@@H]1[C@H](O)CCN1C(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
CYP2C19 P33261 1/20 0.52
AGTR2 P50052 5/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
F2 P00734 2/20 0.48
ELANE P08246 2/20 0.48
CTSG P08311 1/20 0.48
PREP P48147 1/20 0.48

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
SCHEMBL21874593 1.00 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19AGTR2
SCHEMBL4920606 1.00 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19AGTR2
SCHEMBL818735 1.00 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19AGTR2
SCHEMBL820518 1.00 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19AGTR2
SCHEMBL16857371 0.93 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19KMT2A
SCHEMBL19234258 0.93 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19AGTR2
SCHEMBL19592114 0.93 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19AGTR2
SCHEMBL2678862 0.93 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19AGTR2
Hydrochloric Acid SCHEMBL5409774 0.92 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19AGTR2
SCHEMBL13547241 0.91 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9ACYP2C19AGTR2

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-109476653-B Heteroaromatic modulators of retinoid-related orphan receptor gamma 利奥制药有限公司 2022-04-22 CN disclosed