SCHEMBL3987539

SCHEMBL3987539

CCOC(=O)c1[nH]c2ccc(Oc3c(Cl)cc(C(=O)NCC(=O)O)cc3Cl)cc2c1C.COC(=O)c1[nH]c2ccc(Oc3c(Cl)cc(C(=O)NCC(=O)O)cc3Cl)cc2c1C.Cc1c(C(=O)NC(C)C)[nH]c2ccc(Oc3c(Cl)cc(NC(=O)CC(=O)O)cc3Cl)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
KDM4E B2RXH2 7/20 0.44
MAPT P10636 7/20 0.44
HPGD P15428 6/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
GAA P10253 3/20 0.43
CYP1A2 P05177 2/20 0.43
THRB P10828 5/20 0.43
THRA P10827 4/20 0.43
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
HSD17B10 Q99714 5/20 0.37
LMNA P02545 3/20 0.37
HTT P42858 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
ALOX12 P18054 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
SCHEMBL4523898 0.87 MAPT (0.55) ALDH1A1KDM4EMAPTHPGDNPC1
SCHEMBL4526597 0.86 THRB (0.49) ALDH1A1KDM4EHPGDGAACYP1A2
SCHEMBL3990474 0.85 KDM4E (0.47) ALDH1A1KDM4EMAPTHPGDNPC1
SCHEMBL3984903 0.76 MAPT (0.44) ALDH1A1KDM4EMAPTHPGDNPC1
SCHEMBL4523894 0.73 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTHPGDNPC1
SCHEMBL3990468 0.73 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTHPGDNPC1
SCHEMBL3993557 0.72 EGFR (0.42) ALDH1A1KDM4EMAPTHPGDNPC1
SCHEMBL3990672 0.71 KDM4E (0.58) ALDH1A1KDM4EMAPTHPGDNPC1
SCHEMBL3987383 0.69 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTHPGDNPC1
SCHEMBL3994062 0.69 KDM4E (0.55) ALDH1A1KDM4EMAPTHPGDNPC1

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-2035377-A1 INDOLE DERIVATIVES AND THEIR USE AS THYROID RECEPTOR LIGANDS KARO BIO AB (SE) 2009-03-18 EP disclosed
WO-2007134864-A1 INDOLE DERIVATIVES AND THEIR USE AS THYROID RECEPTOR LIGANDS KARO BIO AB (SE) 2007-11-29 WO disclosed