SCHEMBL5717866

SCHEMBL5717866

CCCNc1cccc(COc2c(Cl)cc(C(=O)NCC(=O)O)cc2Cl)c1F.CCCNc1cccc(COc2c(Cl)cc(CC(=O)O)cc2Cl)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.40
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ABL1 P00519 1/20 0.40
GAA P10253 1/20 0.40
RIN1 Q13671 1/20 0.40
KDM4E B2RXH2 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTGDR2 Q9Y5Y4 3/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL4932794 0.95 HPGD (0.44) HPGDALDH1A1KMT2AMEN1RAB9A
SCHEMBL4933489 0.91 FABP4 (0.41) HPGDALDH1A1KMT2AMEN1RAB9A
SCHEMBL5717967 0.89 HPGD (0.40) HPGDALDH1A1KMT2AMEN1RAB9A
SCHEMBL5717871 0.89 KMT2A (0.38) HPGDALDH1A1KMT2AMEN1RAB9A
SCHEMBL5718277 0.89 ALDH1A1 (0.35) HPGDALDH1A1KMT2AMEN1RAB9A
SCHEMBL5717843 0.89 HPGD (0.40) HPGDALDH1A1KMT2AMEN1RAB9A
SCHEMBL5722466 0.88 THRA (0.45) HPGDALDH1A1KMT2AMEN1RAB9A
SCHEMBL5718235 0.88 ALDH1A1 (0.34) HPGDALDH1A1KMT2AMEN1RAB9A
SCHEMBL5722567 0.88 KMT2A (0.41) HPGDALDH1A1KMT2AMEN1RAB9A
SCHEMBL5717870 0.88 THRB (0.42) THRBTHRA

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