SCHEMBL3704933

SCHEMBL3704933

CCOC(=O)CN(C(=O)c1ccccc1)c1cc(Br)c(Oc2ccc(OC)c(C(=O)c3cccc(F)c3)c2)c(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.38
LPAR1 Q92633 2/20 0.36
LPAR5 Q9H1C0 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
TSHR P16473 1/20 0.36
HPGD P15428 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
F2 P00734 2/20 0.34
F10 P00742 2/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL3704908 0.93 MAPT (0.39) NR3C1LPAR1LPAR5LMNAHPGD
SCHEMBL3704670 0.91 TSHR (0.40) NR3C1LPAR1TSHRHPGDCYP1A2
SCHEMBL3710069 0.88 POLB (0.47) NR3C1LPAR1SMN1; SMN2TSHRHPGD
SCHEMBL3715784 0.86 TSHR (0.39) LPAR1LPAR5LMNATSHRHPGD
SCHEMBL3705439 0.84 TSPO (0.38) LMNANPC1RAB9ATSHRHPGD
SCHEMBL3714771 0.83 ESR1 (0.38) LPAR1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL3707230 0.82 LMNA (0.36) LPAR1LMNANPC1RAB9ATSHR
SCHEMBL3703153 0.82 THRB (0.45) NR3C1THRATHRB
SCHEMBL3706682 0.80 THRB (0.39) LMNAF2F10MAPTTHRA
SCHEMBL3704309 0.80 THRB (0.46) THRATHRB

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
WO-2010086878-A2 THYROID RECEPTOR MODULATORS CADILA HEALTHCARE LIMITED (IN) 2010-08-05 WO claimed
WO-2010086878-A2 THYROID RECEPTOR MODULATORS CADILA HEALTHCARE LIMITED (IN) 2010-08-05 WO disclosed