SCHEMBL7705486

SCHEMBL7705486

Cc1ccsc1C(=O)CC(=O)C1CC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.56
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
ATM Q13315 1/20 0.48
ALPL P05186 1/20 0.46
ALPI P09923 1/20 0.46
ALPG P10696 1/20 0.46
ALDH1A1 P00352 2/20 0.44
SLC6A1 P30531 2/20 0.43
PTGS1 P23219 1/20 0.43
PDE4A P27815 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
PKM P14618 1/20 0.41
GAA P10253 1/20 0.41
PPARG P37231 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL6133280 0.78 GSK3B (0.65) GSK3BNPC1RAB9AATMKMT2A
SCHEMBL5903882 0.78 GSK3B (0.65) GSK3BNPC1RAB9AATMKMT2A
SCHEMBL6129997 0.77 GSK3B (0.69) GSK3BNPC1RAB9AALDH1A1KMT2A
SCHEMBL15979696 0.75 GSK3B (0.71) GSK3BNPC1RAB9AATMKMT2A
SCHEMBL5903874 0.72 GSK3B (0.57) GSK3BNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL10164982 0.72 GSK3B (0.57) GSK3BNPC1RAB9AATMALDH1A1
SCHEMBL6793998 0.72 GSK3B (1.00) GSK3BNPC1RAB9AALDH1A1KMT2A
SCHEMBL5569894 0.72 GSK3B (0.67) GSK3BNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL8754605 0.70 ERCC5 (0.57) NPC1RAB9AALDH1A1KMT2ASMN1; SMN2
SCHEMBL9150313 0.70 RAB9A (0.73) GSK3BNPC1RAB9AATMALPL

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0588357-B1 Isoxazoles derivatives and their use as herbicides AVENTIS AGRICULTURE LTD (GB) 2002-06-12 EP disclosed
EP-1156048-A1 Heteroaroyl-isoxazoles and their use as herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 2001-11-21 EP disclosed
US-5480857-A Herbicidal 4-heteroaroylisoxazole derivatives RHONE-POULENC AGRICULTURE LIMITED (GB) 1996-01-02 US disclosed
EP-0588357-A1 Isoxazoles derivatives and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1994-03-23 EP disclosed