SCHEMBL22448925

SCHEMBL22448925

COc1ccc(-c2nc(-c3ccc(CC(NC(=O)c4ccc(C(C)(C)C)cc4)C(=O)O)cc3)no2)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TPH1 P17752 12/20 0.64
▸ SMPD1 P17405 1/20 0.52
▸ MAPT P10636 3/20 0.52
▸ HTT P42858 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ KDM4E B2RXH2 2/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ TP53 P04637 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ XBP1 P17861 1/20 0.51
▸ PPARG P37231 1/20 0.51
▸ NCOA2 Q15596 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49

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
SCHEMBL15096517 1.00 TPH1 (0.64) TPH1SMPD1MAPTHTTSMN1; SMN2
SCHEMBL15037368 0.97 TPH1 (0.59) TPH1SMPD1MAPTHTTSMN1; SMN2
SCHEMBL15037265 0.93 TPH1 (0.54) TPH1SMPD1MAPTHTTSMN1; SMN2
SCHEMBL15096518 0.92 TPH1 (0.53) TPH1SMPD1MAPTSMN1; SMN2LMNA
SCHEMBL15037278 0.92 TPH1 (0.53) TPH1SMPD1MAPTSMN1; SMN2LMNA
SCHEMBL22449247 0.89 S1PR4 (0.54) TPH1MAPTHTTSMN1; SMN2LMNA
SCHEMBL15037155 0.89 S1PR4 (0.54) TPH1MAPTHTTSMN1; SMN2LMNA
SCHEMBL15037267 0.89 TPH1 (0.52) TPH1SMPD1MAPTSMN1; SMN2KDM4E
SCHEMBL15037262 0.88 TPH1 (0.61) TPH1MAPTL3MBTL1KDM4EMEN1
SCHEMBL15037361 0.87 TPH1 (0.53) TPH1SMPD1MAPTSMN1; SMN2KDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2791112-B1 CARBOXYLIC ACID DERIVATIVES COMPRISING FOUR CYCLES ACTING AS GLP-1 RECEPTOR MODULATORS FOR THERAPY OF DISEASES SUCH AS DIABETES CELGENE INT II SÀRL (CH) 2020-09-23 — — EP disclosed
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