SCHEMBL7926723

SCHEMBL7926723

Cc1cccc(Nc2cc(Cl)nc(CC(=S)NCCO)n2)c1C.O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 14/20 0.51
PPARG P37231 12/20 0.46
RXRA P19793 8/20 0.46
RXRB P28702 7/20 0.46
PPARD Q03181 5/20 0.45
RXRG P48443 5/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
ABCC4 O15439 1/20 0.45
ABCB11 O95342 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALOX5 P09917 3/20 0.40
PTGES O14684 4/20 0.39
GPR52 Q9Y2T5 1/20 0.37

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
SCHEMBL4433116 0.86 PPARA (0.57) PPARAPPARGRXRARXRBPPARD
SCHEMBL8015983 0.85 PPARA (0.57) PPARAPPARGRXRARXRBPPARD
SCHEMBL3380949 0.77 PPARA (0.67) PPARAPPARGRXRARXRBPPARD
SCHEMBL3512239 0.72 PPARA (0.69) PPARAPPARGRXRARXRBPPARD
Pirinixil SCHEMBL8015979 0.70 PPARA (0.62) PPARAPPARGRXRARXRBPPARD
Pirinixil SCHEMBL2109826 0.68 PPARA (0.74) PPARAPPARGRXRARXRBPPARD
SCHEMBL11484264 0.64 PPARA (0.74) PPARAPPARGRXRARXRBPPARD
Acetic Acid SCHEMBL3773388 0.64 PPARA (0.61) PPARAPPARGRXRARXRBPPARD
Aronixil SCHEMBL2732727 0.63 PPARA (0.64) PPARAPPARGRXRARXRBPPARD
SCHEMBL11482717 0.63 PPARA (0.71) PPARAPPARGRXRARXRBPPARD

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
US-6184215-B1 TOPICALLY APPLYING TO SKIN A HYDROXYCHOLESTEROL TO ACTIVATE LIVER-BASED X-ACTIVATED RECEPTOR ALPHA (LXRA) THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2001-02-06 US disclosed