SCHEMBL21887741

SCHEMBL21887741

CSc1cc(-c2ccc(-c3cc(C(=O)NCC(F)(F)F)nn3CC(C)C)cc2)ccc1CO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.47
HDAC3 O15379 4/20 0.36
HDAC4 P56524 4/20 0.36
HDAC1 Q13547 4/20 0.36
HDAC7 Q8WUI4 4/20 0.36
HDAC2 Q92769 4/20 0.36
HDAC10 Q969S8 4/20 0.36
HDAC11 Q96DB2 4/20 0.36
HDAC8 Q9BY41 4/20 0.36
HDAC6 Q9UBN7 4/20 0.36
HDAC9 Q9UKV0 4/20 0.36
HDAC5 Q9UQL6 4/20 0.36
SMPD1 P17405 2/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
CACNA1G O43497 1/20 0.35
CACNA1H O95180 1/20 0.35
PPARG P37231 4/20 0.34
PPARA Q07869 2/20 0.34
PPARD Q03181 1/20 0.34
JAK2 O60674 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
SCHEMBL16553546 0.85 NR1H2 (0.67) NR1H2HDAC3HDAC4HDAC1HDAC7
SCHEMBL20845532 0.84 NR1H2 (0.54) NR1H2SMPD1MALT1
SCHEMBL25880815 0.78 NR1H2 (0.55) NR1H2HDAC3HDAC4HDAC1HDAC7
SCHEMBL16553538 0.78 NR1H2 (0.67) NR1H2APLNR
SCHEMBL21887746 0.77 NR1H2 (0.45) NR1H2HDAC3HDAC4HDAC1HDAC7
SCHEMBL20575099 0.68 NR1H2 (0.37) NR1H2
SCHEMBL16553554 0.68 NR1H2 (0.77) NR1H2
SCHEMBL25880809 0.67 NR1H2 (0.41) NR1H2HDAC3HDAC4HDAC1HDAC7
SCHEMBL29496569 0.65 NR1H2 (0.73) NR1H2
SCHEMBL16566131 0.65 NR1H2 (0.73) NR1H2

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
EP-3626712-A2 LIVER X RECEPTOR (LXR) MODULATORS Ellora Therapeutics, Inc. (US) 2020-03-25 EP disclosed