SCHEMBL24725751

SCHEMBL24725751

C[C@@H](Cc1cccs1)C(O)O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.53
RAB9A P51151 6/20 0.50
KMT2A Q03164 2/20 0.46
LMNA P02545 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
NPC1 O15118 4/20 0.42
HTT P42858 3/20 0.42
HPGD P15428 3/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
CTSC P53634 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL14520624 0.83
SCHEMBL21038290 0.83 CYP2C19 (0.52) CYP2C19RAB9AKMT2ALMNASMN1; SMN2
SCHEMBL6682630 0.83
SCHEMBL22295329 0.83 CYP2C19 (0.52) CYP2C19RAB9AKMT2ALMNASMN1; SMN2
SCHEMBL625666 0.83
SCHEMBL19832281 0.80 CYP2C19 (0.53) CYP2C19RAB9AKMT2ALMNASMN1; SMN2
SCHEMBL91135 0.79
SCHEMBL30444415 0.79 CYP2C19 (0.61) CYP2C19RAB9AKMT2ALMNASMN1; SMN2
SCHEMBL10390855 0.79
SCHEMBL4202449 0.76 CYP2C19 (0.53) CYP2C19RAB9AKMT2ALMNASMN1; SMN2

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-3842420-B1 HETEROARYL INHIBITORS OF PDE4 TETRA DISCOVERY PARTNERS LLC (US) 2022-12-07 EP disclosed