SCHEMBL27367301

SCHEMBL27367301

CCOC(=O)C1CCc2cc(S(=O)(=O)Cl)ccc2C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 3/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42
VCAM1 P19320 1/20 0.42
MEN1 O00255 2/20 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
SCHEMBL27367305 0.85 NPC1 (0.53) HTTALDH1A1SMN1; SMN2POLBLMNA
SCHEMBL27366954 0.84 KMT2A (0.43) HTTALDH1A1SMN1; SMN2POLBLMNA
SCHEMBL630214 0.81 DRD2 (0.51) ALDH1A1SMN1; SMN2POLBGAAKMT2A
SCHEMBL7289390 0.81 DRD2 (0.51) ALDH1A1SMN1; SMN2POLBGAAKMT2A
SCHEMBL629772 0.81 OPRK1 (0.48) ALDH1A1LMNAKMT2AMEN1
SCHEMBL10528530 0.80 CYP4F2 (0.46) ALDH1A1SMN1; SMN2LMNAL3MBTL1KMT2A
SCHEMBL10529754 0.80 MAPK1 (0.46) ALDH1A1SMN1; SMN2GAAKMT2AMEN1
SCHEMBL21383104 0.80 SHMT2 (0.46) ALDH1A1POLBLMNAGAAKMT2A
SCHEMBL30437653 0.80 MAPK1 (0.46) ALDH1A1SMN1; SMN2GAAKMT2AMEN1
Hydrochloric Acid SCHEMBL10528366 0.79 SHMT2 (0.45) ALDH1A1POLBGAAKMT2AMEN1

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