SCHEMBL8955822

SCHEMBL8955822

OCCCCCCCCOc1cccc(OC(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.49
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 2/20 0.48
PIM1 P11309 1/20 0.47
PRSS1 P07477 4/20 0.44
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 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
SCHEMBL8370558 0.98 PIM1 (0.48) PDK2HDAC1HDAC2PIM1PRSS1
SCHEMBL31466611 0.93 PIM1 (0.52) PDK2HDAC1HDAC2PIM1FFAR1
SCHEMBL2095220 0.93 PIM1 (0.52) PDK2HDAC1HDAC2PIM1FFAR1
SCHEMBL2097585 0.88 ALDH1A1 (0.52) PDK2HDAC1HDAC2PIM1FFAR1
SCHEMBL8955633 0.88 HDAC1 (0.47) PDK2HDAC1HDAC2PIM1
SCHEMBL8928364 0.86 PRSS1 (0.55) PDK2PRSS1
SCHEMBL8928374 0.84 PRSS1 (0.53) PDK2PRSS1
SCHEMBL24305889 0.84 TSHR (0.59) PDK2
SCHEMBL14121551 0.84 KIF11 (0.46) HDAC1HDAC2PRSS1
SCHEMBL8778525 0.84 HDAC1 (0.45) HDAC1HDAC2PRSS1

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
US-5516767-A PRODRUG AS HYPOGLYCEMIC AGENT SANDOZ LTD. (CH) 1996-05-14 US disclosed
US-5412137-A Hypoglycemic agents SANDOZ LTD. (CH) 1995-05-02 US disclosed