SCHEMBL27367231

SCHEMBL27367231

CC(C)COC(=O)CC(=O)c1ccc2cc(S(=O)(=O)N(C)C)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.43
MMP13 P45452 6/20 0.43
ATM Q13315 1/20 0.41
ALDH1A1 P00352 5/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 2/20 0.39
RECQL P46063 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
MAPK1 P28482 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 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
SCHEMBL27367223 0.78 AKR1C3 (0.39) MMP2MMP13ALDH1A1LMNASMN1; SMN2
SCHEMBL27367160 0.74 CYP2C9 (0.52) ALDH1A1SMN1; SMN2MAPTGAAMAPK1
SCHEMBL18770418 0.73 L3MBTL1 (0.62) ATMALDH1A1LMNAL3MBTL1SMN1; SMN2
SCHEMBL3653336 0.72 KMT2A (0.58) ALDH1A1LMNAL3MBTL1SMN1; SMN2MAPT
SCHEMBL17290764 0.71 ALDH1A1 (0.50) ATMALDH1A1LMNAL3MBTL1SMN1; SMN2
SCHEMBL4977454 0.68 KMT2A (0.53) ALDH1A1LMNASMN1; SMN2MAPTKMT2A
SCHEMBL20942845 0.68 ADRB2 (0.57) ALDH1A1MAPT
SCHEMBL853199 0.65 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2MAPTGAAKMT2A
SCHEMBL29362884 0.65 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2MAPTGAAKMT2A
SCHEMBL29212110 0.64 NPC1 (0.61) ALDH1A1LMNAL3MBTL1SMN1; SMN2KMT2A

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
WO-2024049929-A2 PANNEXIN-1 MODULATORS AND METHODS OF TREATING DISORDERS IN WHICH PANNEXIN-1 IS IMPLICATED PANNEX THERAPEUTICS INC. (US) 2024-03-07 WO disclosed