SCHEMBL5717868

SCHEMBL5717868

CCC(C)Nc1cc(Cl)cc(COc2c(Cl)cc(C(=O)NCC(=O)O)cc2Cl)c1F.CCC(C)Nc1cc(Cl)cc(COc2c(Cl)cc(CC(=O)O)cc2Cl)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
ABL1 P00519 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
RIN1 Q13671 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
THRA P10827 9/20 0.35
THRB P10828 9/20 0.35
GPR139 Q6DWJ6 2/20 0.33
NPC1 O15118 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL4931801 0.95 ALDH1A1 (0.39) MEN1RAB9AKMT2AALDH1A1HPGD
SCHEMBL5717755 0.94 THRA (0.37) MEN1RAB9AKMT2AALDH1A1HPGD
SCHEMBL5717861 0.92 THRA (0.36) MEN1RAB9AKMT2AALDH1A1HPGD
SCHEMBL4928285 0.91 THRB (0.40) MEN1RAB9AKMT2AALDH1A1HPGD
SCHEMBL5717872 0.89 KMT2A (0.33) MEN1RAB9AKMT2AALDH1A1HPGD
SCHEMBL4927388 0.88 GPR139 (0.38) MEN1RAB9AKMT2AALDH1A1HPGD
SCHEMBL5722620 0.88 THRA (0.45) MEN1RAB9AKMT2AALDH1A1HPGD
SCHEMBL5717912 0.88 ALDH1A1 (0.36) MEN1RAB9AKMT2AALDH1A1HPGD
SCHEMBL5717775 0.88 THRA (0.35) MEN1RAB9AKMT2AALDH1A1HPGD
SCHEMBL4930888 0.87 GPR139 (0.37) MEN1RAB9AKMT2AALDH1A1LMNA

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-1732533-A1 THYROID RECEPTOR AGONISTS KARO BIO AB (SE) 2006-12-20 EP disclosed
WO-2005092317-A1 THYROID RECEPTOR AGONISTS KARO BIO AB (SE) 2005-10-06 WO disclosed