SCHEMBL670029

SCHEMBL670029

CC(C)(C)CC(C)(C)c1cccc(Cl)c1OC(Cl)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
KIF11 P52732 1/20 0.34
AKR1B1 P15121 1/20 0.34
CAMK2A Q9UQM7 1/20 0.33
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32
PPARA Q07869 4/20 0.32
PPARG P37231 3/20 0.32
PPARD Q03181 1/20 0.32
FABP4 P15090 2/20 0.31
FABP5 Q01469 2/20 0.31
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.31
GAA P10253 1/20 0.31
POLB P06746 1/20 0.31
PTGS2 P35354 1/20 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
SCHEMBL2014946 0.74 KMT2A (0.42) KMT2AAKR1B1PPARAPPARGLMNA
SCHEMBL152841 0.71 CYP2C19 (0.46) KMT2APPARAGAA
SCHEMBL28317536 0.71 SMN1; SMN2 (0.49) PPARAPPARG
SCHEMBL28857881 0.67 CYP2C19 (0.41) KMT2APPARAPPARGPPARDLMNA
SCHEMBL3535562 0.66 ALDH1A1 (0.41) KMT2AAKR1B1GAA
SCHEMBL27176531 0.65 KMT2A (0.39) KMT2APPARAPPARGLMNAPOLB
SCHEMBL7648071 0.65 ATM (0.36) PPARGGAAPOLB
SCHEMBL30707911 0.65 KMT2A (0.39) KMT2APPARAPPARGLMNAPOLB
SCHEMBL8672553 0.65 NPSR1 (0.39) PPARALMNAPOLB
SCHEMBL2507678 0.64 MAPT (0.45) KMT2ALMNAPKMGAAPOLB

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
EP-2606056-A2 HIGH-VALENT PALLADIUM FLUORIDE COMPLEXES AND USES THEREOF President and Fellows of Harvard College (US) 2013-06-26 EP disclosed
WO-2012024604-A2 HIGH-VALENT PALLADIUM FLUORIDE COMPLEXES AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-02-23 WO disclosed