SCHEMBL1755657

SCHEMBL1755657

O=C1OC[C@H](c2ccccc2)N2C1[C@@H](c1ccc3c(c1)OCCO3)O[C@H]2I

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
HDAC4 P56524 1/20 0.40
PTGS2 P35354 1/20 0.38
TERT O14746 2/20 0.38
TSHR P16473 2/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
STING1 Q86WV6 9/20 0.36
HTT P42858 1/20 0.35
KMT2A Q03164 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
SCHEMBL19997585 0.89 RAB9A (0.43) RAB9ANPC1HDAC4PTGS2TERT
SCHEMBL17558083 0.89 RAB9A (0.43) RAB9ANPC1HDAC4PTGS2TERT
SCHEMBL761654 0.89 RAB9A (0.43) RAB9ANPC1HDAC4PTGS2TERT
SCHEMBL19997586 0.89 RAB9A (0.43) RAB9ANPC1HDAC4PTGS2TERT
SCHEMBL761670 0.89 RAB9A (0.43) RAB9ANPC1HDAC4PTGS2TERT
SCHEMBL19632888 0.80 TSHR (0.42) RAB9ANPC1HDAC4PTGS2TERT
SCHEMBL17558067 0.80 TSHR (0.42) RAB9ANPC1PTGS2TSHRALDH1A1
SCHEMBL764383 0.79 NPC1 (0.34) RAB9ANPC1HDAC4PTGS2TERT
SCHEMBL763256 0.79 NPC1 (0.34) RAB9ANPC1HDAC4PTGS2TERT
SCHEMBL17567333 0.79 NPC1 (0.38) RAB9ANPC1HDAC4PTGS2TERT

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
EP-2067775-B1 A N-Acylsphingosine glucosyltransferase inhibitor GENZYME CORP (US) 2012-04-25 EP disclosed
EP-1409467-B1 A N-ACYLSPHINGOSINE GLUCOSYLTRANSFERASE INHIBITOR GENZYME CORP (US) 2012-04-18 EP disclosed
EP-2067775-A1 Synthesis of UDP-glucose: N-Acylsphingosine glucosyltransferase inhibitors GENZYME CORPORATION (US) 2009-06-10 EP disclosed