SCHEMBL9437587

SCHEMBL9437587

O=C(c1nccs1)[C@@H](Cc1ccccc1)CS(=O)(=O)N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
F10 P00742 5/20 0.43
CTSS P25774 1/20 0.41
ALDH1A1 P00352 4/20 0.41
F2 P00734 5/20 0.41
REN P00797 2/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PRSS1 P07477 3/20 0.39
PLG P00747 1/20 0.39
PLAT P00750 1/20 0.39
PLA2G4A P47712 1/20 0.38
MAPK1 P28482 1/20 0.38
CES1 P23141 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
CMA1 P23946 1/20 0.37

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
SCHEMBL9437630 0.84 F10 (0.41) F10CTSSF2RENPRSS1
SCHEMBL9437682 0.83 LMNA (0.43) LMNACTSSALDH1A1RENPOLB
SCHEMBL9437665 0.82 F2 (0.42) F10CTSSF2RENPRSS1
SCHEMBL8909332 0.80 LMNA (0.56) LMNACTSSALDH1A1POLBMEN1
SCHEMBL7301756 0.80 LMNA (0.56) LMNACTSSALDH1A1POLBMEN1
SCHEMBL7337422 0.79 REN (0.40) LMNAF10CTSSALDH1A1F2
SCHEMBL9437608 0.77 LMNA (0.45) LMNACTSSALDH1A1RENPOLB
SCHEMBL9437606 0.77 LMNA (0.45) LMNACTSSALDH1A1RENPOLB
SCHEMBL9437644 0.75 LMNA (0.41) LMNACTSSALDH1A1RENPOLB
SCHEMBL7293036 0.75 MEN1 (0.51) LMNACTSSALDH1A1POLBMEN1

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
US-5332742-A Ocular hypotensive ABBOTT LABORATORIES (US) 1994-07-26 US disclosed