SCHEMBL3939702

SCHEMBL3939702

O=C(O)CN(C(=O)C(=O)c1c[nH]c2cc(CO)ccc12)C(C(=O)NC1CCCCC1)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
HDAC1 Q13547 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
MDM2 Q00987 5/20 0.36
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NR1H4 Q96RI1 1/20 0.34
ACKR3 P25106 1/20 0.34
KMT2A Q03164 1/20 0.34
TACR1 P25103 1/20 0.34
TP53 P04637 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL4357051 0.90 RAB9A (0.43) RAB9ANPC1HDAC1HDAC6MDM2
SCHEMBL4032664 0.89 RAB9A (0.42) RAB9ANPC1HDAC1HDAC6MDM2
SCHEMBL3943464 0.89 ALDH1A1 (0.44) RAB9ANPC1HDAC1HDAC6MDM2
SCHEMBL3938881 0.89 RAB9A (0.42) RAB9ANPC1HDAC1HDAC6MDM2
SCHEMBL3942177 0.89 MDM2 (0.43) RAB9ANPC1MDM2
SCHEMBL3949749 0.87 RAB9A (0.41) RAB9ANPC1HDAC1HDAC6MDM2
SCHEMBL3945345 0.87 ALDH1A1 (0.42) RAB9ANPC1HDAC1HDAC6MAPT
SCHEMBL3941454 0.87 RAB9A (0.58) RAB9ANPC1HDAC1HDAC6MAPT
SCHEMBL3943978 0.87 RAB9A (0.58) RAB9ANPC1HDAC1HDAC6MAPT
SCHEMBL3944015 0.87 RAB9A (0.58) RAB9ANPC1HDAC1HDAC6MAPT

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
WO-2009019508-A1 CALCIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2009-02-12 WO claimed
WO-2009019508-A1 CALCIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2009-02-12 WO disclosed