SCHEMBL3785947

SCHEMBL3785947

COC(=O)N(C1c2ccccc2-c2ccccc21)[C@H](c1ccc(OCC(=O)O)cc1)c1ccc(OC)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ THRA P10827 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ LMNA P02545 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ TSHR P16473 2/20 0.37
▸ GPR55 Q9Y2T6 1/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ CTSA P10619 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35

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
SCHEMBL2131722 0.82 THRA (0.43) NPC1RAB9ATHRATHRBLMNA
SCHEMBL3367291 0.79 THRA (0.41) NPC1RAB9ATHRATHRBLMNA
SCHEMBL1000960 0.79 THRA (0.41) NPC1RAB9ATHRATHRBLMNA
SCHEMBL29368397 0.76 KMT2A (0.45) NPC1RAB9ATHRATHRBLMNA
SCHEMBL1745934 0.76 KMT2A (0.45) NPC1RAB9ATHRATHRBLMNA
SCHEMBL3367289 0.76 KMT2A (0.45) NPC1RAB9ATHRATHRBLMNA
SCHEMBL29470540 0.76 KMT2A (0.45) NPC1RAB9ATHRATHRBLMNA
SCHEMBL31146900 0.76 KMT2A (0.45) NPC1RAB9ATHRATHRBLMNA
SCHEMBL1000962 0.76 KMT2A (0.45) NPC1RAB9ATHRATHRBLMNA
SCHEMBL5023224 0.74 NPC1 (0.42) NPC1RAB9ATHRATHRBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010096052-A1 OXYNTOMODULIN ANALOGS MERCK SHARP & DOHME CORP. (US) 2010-08-26 — — WO disclosed
EP-1704167-A1 A METHOD TO MAKE A PEPTIDE-CARRIER CONJUGATE WITH A HIGH IMMUNOGENICITY ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2006-09-27 — — EP disclosed
WO-2005058968-A1 A METHOD TO MAKE A PEPTIDE-CARRIER CONJUGATE WITH A HIGH IMMUNOGENICITY ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2005-06-30 — — WO disclosed
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