SCHEMBL8465758

SCHEMBL8465758

CCOc1c(S(C)(=O)=O)ccc(C(=O)CC(=O)C2CC2)c1C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.34
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 2/20 0.33
HTT P42858 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
MRGPRX1 Q96LB2 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 2/20 0.33
IKBKB O14920 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL8489293 0.88 IKBKB (0.39) KMT2AALDH1A1HTTMRGPRX1IKBKB
SCHEMBL977807 0.80 JAK2 (0.32) ALDH1A1
SCHEMBL8465883 0.79 IKBKB (0.39) KMT2AALDH1A1MEN1HTTMCOLN3
SCHEMBL8488921 0.79 IKBKB (0.39) KMT2AALDH1A1MEN1HTTLMNA
SCHEMBL8464103 0.78 IKBKB (0.37) KMT2AALDH1A1MEN1HTTMCOLN3
SCHEMBL8488903 0.77 MAPT (0.36) ALDH1A1LMNAMAPT
SCHEMBL8492586 0.76 MMP1 (0.31)
SCHEMBL8466407 0.76 GPR119 (0.31) ALDH1A1
SCHEMBL8493700 0.76 RAB9A (0.38) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL8493014 0.76 CYP1A2 (0.39) KMT2AALDH1A1MEN1HTTMCOLN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999021842-A1 HERBICIDAL 4-BENZOYLISOXAZOLES DERIVATIVES ZENECA LIMITED (GB) 1999-05-06 WO disclosed
US-5863865-A APPLYING PLANT GROWTH REGULATOR TO AN AREA WHERE SUCH CONTROL IS DESIRED ZENECA LIMITED (GB) 1999-01-26 US disclosed