SCHEMBL25213110

SCHEMBL25213110

O=C(C[C@H]1CC[C@@H](C(=O)O)N1C(=O)O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
GLA P06280 1/20 0.44
HTR2C P28335 1/20 0.41
GAA P10253 1/20 0.41
CYP2C19 P33261 1/20 0.40
FFAR2 O15552 2/20 0.39
KMT2A Q03164 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
FABP7 O15540 1/20 0.38
FABP5 Q01469 1/20 0.38
FKBP1A P62942 2/20 0.38

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
SCHEMBL25212021 0.86 HTT (0.43) ALDH1A1MAPK1L3MBTL1SMN1; SMN2NPC1
SCHEMBL6034101 0.77 GAA (0.34) ALDH1A1L3MBTL1SMN1; SMN2GAAFFAR2
SCHEMBL6033119 0.77 GAA (0.34) ALDH1A1L3MBTL1SMN1; SMN2GAAFFAR2
SCHEMBL30467495 0.77 FKBP1A (0.43) ALDH1A1MAPK1L3MBTL1SMN1; SMN2NPC1
SCHEMBL9546482 0.77 SMN1; SMN2 (0.52) ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL9546475 0.77 SMN1; SMN2 (0.52) ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL3431999 0.77 PREP (0.46) ALDH1A1MAPK1L3MBTL1SMN1; SMN2NPC1
SCHEMBL1509090 0.76 HTR2C (0.53) ALDH1A1SMN1; SMN2NPC1RAB9AHTR2C
SCHEMBL1508927 0.76 SMN1; SMN2 (0.51) ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL13567880 0.76 HTR2C (0.53) ALDH1A1SMN1; SMN2NPC1RAB9AHTR2C

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
EP-4185587-A1 COMPOUNDS USEFUL AS FACTOR XIA INHIBITORS JANSSEN Pharmaceutica NV (BE) 2023-05-31 EP disclosed