SCHEMBL7410357

SCHEMBL7410357

CC(C)c1cc(OCCCCCC(=O)O)cc2c1CN(C(Oc1cc(C(F)(F)F)n[nH]1)c1ccccc1)S2

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 5/20 0.32
HDAC1 Q13547 5/20 0.32
HDAC2 Q92769 5/20 0.32
PPARD Q03181 1/20 0.32
TACR1 P25103 1/20 0.31
PDE2A O00408 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
GNRHR P30968 1/20 0.31
LTB4R Q15722 2/20 0.30
HDAC3 O15379 2/20 0.30
HDAC4 P56524 2/20 0.30
HDAC7 Q8WUI4 2/20 0.30
HDAC10 Q969S8 2/20 0.30
HDAC11 Q96DB2 2/20 0.30
HDAC8 Q9BY41 2/20 0.30
HDAC6 Q9UBN7 2/20 0.30
HDAC9 Q9UKV0 2/20 0.30
HDAC5 Q9UQL6 2/20 0.30

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
SCHEMBL8615680 0.78 ELANE (0.34) PDK2GNRHRLTB4R
SCHEMBL8609833 0.75 ELANE (0.35) PDK2GNRHR
SCHEMBL7410359 0.72 CASP3 (0.38) PDK2HDAC1HDAC2PPARDLTB4R
SCHEMBL7399082 0.69 ELANE (0.37) PDK2
SCHEMBL7405849 0.67 ELANE (0.33)
SCHEMBL7401912 0.61 ELANE (0.37)
SCHEMBL20231594 0.59 KDM4E (0.66)
SCHEMBL20231599 0.59 KDM4E (0.66)
SCHEMBL28633426 0.56 PPARA (0.56) PPARD
SCHEMBL1194299 0.56 HDAC1 (0.49) PDK2HDAC1HDAC2PPARDLTB4R

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-1997010243-A1 2-(PYRAZOL-5-YL-OXYMETHYL)-1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI (US) 1997-03-20 WO disclosed