SCHEMBL13148444

SCHEMBL13148444

C=C(O)Cc1coc(-c2cc(F)c(F)c(C(F)(F)F)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 1/20 0.32
HDAC4 P56524 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 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
SCHEMBL628808 0.88 LMNA (0.41) LMNAGAATSHRKMT2AHPGD
SCHEMBL13148639 0.85 MPL (0.41) LMNAGAATSHRKMT2AHPGD
SCHEMBL13148649 0.73 RXRA (0.46) LMNAKMT2AHPGDPPARGPPARA
SCHEMBL628001 0.72 LMNA (0.46) LMNAGAATSHRKMT2AHPGD
SCHEMBL10029585 0.69 LMNA (0.43) LMNAGAATSHRKMT2AHPGD
SCHEMBL2109105 0.68 PTPN11 (0.46) LMNAGAATSHRKMT2AHPGD
SCHEMBL628795 0.67 RXRA (0.49) LMNAGAATSHRKMT2APPARG
SCHEMBL627996 0.67 S1PR1 (0.50) LMNAGAAHPGDPPARGPPARA
SCHEMBL629167 0.66 RXRA (0.53) LMNAGAATSHRKMT2AHPGD
SCHEMBL629104 0.65 S1PR1 (0.43) LMNAGAATSHRKMT2APPARG

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
WO-2010120741-A1 COMPOSITIONS AND METHODS FOR MODULATING RETINOL BINDING TO RETINOL BINDING PROTEIN 4 (RBP4) IRM LLC (US) 2010-10-21 WO disclosed