SCHEMBL8955633

SCHEMBL8955633

OCCCCOc1cccc(Oc2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
PDK2 Q15119 3/20 0.46
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CETP P11597 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
PIM1 P11309 1/20 0.41
PPARG P37231 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
SCHEMBL8370558 0.90 PIM1 (0.48) HDAC1HDAC2PDK2PIM1
SCHEMBL8955822 0.88 PDK2 (0.49) HDAC1HDAC2PDK2PIM1
SCHEMBL8955539 0.88 HDAC1 (0.50) HDAC1HDAC2PDK2MRGPRX4
SCHEMBL31466611 0.85 PIM1 (0.52) HDAC1HDAC2PDK2PIM1
SCHEMBL2095220 0.85 PIM1 (0.52) HDAC1HDAC2PDK2PIM1
SCHEMBL8778594 0.84 TSHR (0.42) HDAC1HDAC2KDM4EALDH1A1SMN1; SMN2
SCHEMBL8955470 0.81 PDK2 (0.47) HDAC1HDAC2PDK2
SCHEMBL13750033 0.81 PDK2 (0.47) HDAC1HDAC2PDK2
SCHEMBL2090929 0.81 PDK2 (0.47) HDAC1HDAC2PDK2
SCHEMBL2097585 0.80 ALDH1A1 (0.52) HDAC1HDAC2PDK2ALDH1A1CETP

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