SCHEMBL764381

SCHEMBL764381

O=C1OC[C@H](c2ccccc2)N2C1[C@@H](C1C=C3OCCOC3=CC1)O[C@H]2c1ccc2c(c1)OCCO2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.35
NPC1 O15118 3/20 0.35
TSHR P16473 2/20 0.35
HDAC4 P56524 1/20 0.33
STING1 Q86WV6 8/20 0.32
PTGS2 P35354 1/20 0.32
TERT O14746 1/20 0.32
HTT P42858 1/20 0.31
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 2/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
USP2 O75604 1/20 0.31
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KMT2A Q03164 1/20 0.31
BRAF P15056 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
SCHEMBL764383 0.85 NPC1 (0.34) RAB9ANPC1TSHRHDAC4STING1
SCHEMBL763256 0.85 NPC1 (0.34) RAB9ANPC1TSHRHDAC4STING1
SCHEMBL761654 0.81 RAB9A (0.43) RAB9ANPC1TSHRHDAC4STING1
SCHEMBL17558083 0.81 RAB9A (0.43) RAB9ANPC1TSHRHDAC4STING1
SCHEMBL19997586 0.81 RAB9A (0.43) RAB9ANPC1TSHRHDAC4STING1
SCHEMBL19997585 0.81 RAB9A (0.43) RAB9ANPC1TSHRHDAC4STING1
SCHEMBL761670 0.81 RAB9A (0.43) RAB9ANPC1TSHRHDAC4STING1
SCHEMBL19632888 0.79 TSHR (0.42) RAB9ANPC1TSHRHDAC4STING1
SCHEMBL17558067 0.73 TSHR (0.42) RAB9ANPC1TSHRPTGS2HTT
SCHEMBL1755657 0.72 RAB9A (0.40) RAB9ANPC1TSHRHDAC4STING1

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
US-8138353-B2 Synthesis of UDP-glucose: N-acylsphingosine glucosyltransferase inhibitors GENZYME CORPORATION (US) 2012-03-20 US disclosed