SCHEMBL18059180

SCHEMBL18059180

CC(C)(O)C(C)(C)OBc1cc(Cl)ccc1N

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.37
▸ TSHR P16473 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ ALOX15 P16050 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ PGR P06401 1/20 0.37
▸ HPGD P15428 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ TP53 P04637 1/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ HSD17B2 P37059 1/20 0.31
▸ RECQL P46063 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
SCHEMBL18821162 0.86 CYP3A4 (0.38) CYP3A4TSHRALDH1A1ALOX15SMN1; SMN2
SCHEMBL16908224 0.83 CYP3A4 (0.35) CYP3A4TSHRALDH1A1SMN1; SMN2KMT2A
SCHEMBL22020507 0.83 HSD17B10 (0.37) CYP3A4TSHRALDH1A1ALOX15SMN1; SMN2
SCHEMBL23638849 0.78 PPARG (0.33) CYP3A4ALDH1A1KMT2AMEN1
SCHEMBL14824789 0.77 — —
SCHEMBL13984459 0.77 ALDH1A1 (0.31) CYP3A4TSHRALDH1A1ALOX15SMN1; SMN2
SCHEMBL19299415 0.77 PTGDR2 (0.36) TSHRALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL24561700 0.75 IDO1 (0.34) —
SCHEMBL19299397 0.74 PTGDR2 (0.39) ALOX15HPGDMAPK1KMT2AMEN1
SCHEMBL19595730 0.74 MAPT (0.46) ALDH1A1ALOX15SMN1; SMN2TDP1MAPK1

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-2590656-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2017-11-15 — — EP disclosed
EP-2591354-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2016-09-07 — — EP disclosed
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